data_2ld5_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 2ld5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.512 -0.181 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' CD ' ' HZ1' ' A' ' 36' ' ' LYS . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HZ1' ' CD ' ' A' ' 25' ' ' GLU . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.703 0.287 . . . . 10.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.1 mttt . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' C ' ' HG1' ' A' ' 15' ' ' THR . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.537 -0.172 . . . . 10.0 110.537 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.105 -0.398 . . . . 10.0 112.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.25 55.86 5.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.54 0.686 . . . . 10.0 111.603 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.49 157.84 41.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' " H4'" ' B' ' 10' ' ' ' DT' . 31.2 mmtp -101.67 -99.38 0.27 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.512 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' CD ' ' HZ1' ' A' ' 36' ' ' LYS . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HZ1' ' CD ' ' A' ' 25' ' ' GLU . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.694 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HZ2' " H3'" ' C' ' 16' ' ' ' DT' . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.535 ' HZ2' ' P ' ' B' ' 4' ' ' ' DA' . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.778 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.699 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.787 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.935 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.787 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.821 0 C3'-C2'-C1' 99.92 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.771 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 100.073 -1.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.771 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C3'-C2'-C1' 99.986 -1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.612 ' C5 ' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.347 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.6 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.785 -2.082 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.522 H2'' ' H73' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.834 -2.047 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.522 ' H73' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.748 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.748 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.922 0 C3'-C2'-C1' 99.75 -2.107 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.659 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.863 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.699 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.778 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 99.408 -2.351 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.538 " H3'" ' HZ2' ' A' ' 61' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 C3'-C2'-C1' 99.843 -2.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.709 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 104.062 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.745 H2'' ' H73' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 O4'-C1'-C2' 104.2 -1.727 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.745 ' H73' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.891 -2.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.441 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.703 -2.141 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.726 -2.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.784 -0.526 . . . . 10.0 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 45.2 20.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.322 0.582 . . . . 10.0 111.534 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 142.83 49.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' " H4'" ' B' ' 10' ' ' ' DT' . 27.6 mmtp -90.97 -97.76 0.11 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.988 -0.285 . . . . 10.0 110.536 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' NH1' " H1'" ' C' ' 16' ' ' ' DT' . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' CG1' H5'' ' B' ' 10' ' ' ' DT' . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.718 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' OD1' ' H73' ' C' ' 17' ' ' ' DT' . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' HZ2' " H3'" ' C' ' 16' ' ' ' DT' . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.546 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.749 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 100.173 -1.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.632 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.121 -1.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.83 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.83 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.814 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.621 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 100.215 -1.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.621 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.678 0 C3'-C2'-C1' 100.116 -1.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.553 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.788 0 C3'-C2'-C1' 99.846 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 100.087 -1.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.435 ' C8 ' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.848 -2.037 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.523 " H4'" ' O ' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.792 -2.077 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.756 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.756 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.793 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.756 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 104.255 -1.677 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.756 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.794 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.657 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.646 -2.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.657 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.722 0 C3'-C2'-C1' 99.975 -1.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.748 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.965 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.748 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.221 -1.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.648 ' C6 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 100.088 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.545 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 104.021 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.58 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.884 0 C3'-C2'-C1' 99.595 -2.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.749 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-C1' 99.619 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 71.41 -54.13 0.67 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.249 0.619 . . . . 10.0 112.55 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' CA ' " H4'" ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -53.86 142.9 22.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.152 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -93.46 -86.59 0.26 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.075 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' NH1' " H1'" ' C' ' 17' ' ' ' DT' . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.474 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.681 ' OD1' ' H72' ' C' ' 17' ' ' ' DT' . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.703 ' CG2' ' H73' ' B' ' 5' ' ' ' DT' . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.635 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' HZ1' ' P ' ' B' ' 4' ' ' ' DA' . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.651 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.528 ' HZ3' ' P ' ' C' ' 15' ' ' ' DT' . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.054 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.499 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.822 0 C3'-C2'-C1' 100.049 -1.894 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.552 ' OP2' " H2'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 100.153 -1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.527 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 99.673 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.703 ' H73' ' CG2' ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 104.094 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 100.008 -1.923 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.538 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.769 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 C3'-C2'-C1' 99.664 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.739 H2'' ' H73' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.739 ' H73' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.744 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 99.964 -1.954 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.744 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.629 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 99.85 -2.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.618 H2'' ' C7 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.651 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 100.077 -1.873 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.635 " H3'" ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.904 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.681 ' H72' ' OD1' ' A' ' 57' ' ' ASN . . . . . . . . 0 C2'--C1' 1.509 -0.832 0 C3'-C2'-C1' 99.688 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.47 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.838 0 C3'-C2'-C1' 99.805 -2.068 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.819 H2'' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.819 ' H72' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.21 -1.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.677 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 O4'-C1'-C2' 104.108 -1.811 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.375 -0.29 . . . . 10.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 52.01 63.93 2.05 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.262 0.553 . . . . 10.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.86 124.46 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.861 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -77.78 -91.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CA ' ' H72' ' C' ' 19' ' ' ' DT' . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HZ3' ' P ' ' B' ' 4' ' ' ' DA' . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' CE ' " H3'" ' C' ' 15' ' ' ' DT' . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.859 -2.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.402 ' OP2' " H2'" ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.967 -1.952 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.588 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.995 -1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.969 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 100.072 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.969 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.926 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.636 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.971 -1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.571 ' C8 ' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.513 -2.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.456 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.093 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.456 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.687 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.493 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-C2' 103.942 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.774 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.721 -2.128 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.774 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 99.318 -2.415 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.929 -1.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.612 H2'' ' C7 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 C3'-C2'-C1' 99.586 -2.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.746 H2'' ' C6 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.855 -2.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.746 ' C6 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.973 -1.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.494 ' H72' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 100.274 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.566 H2'' " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.236 -1.76 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.566 " H5'" H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.44 ' C5 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.722 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 99.559 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.84 -0.504 . . . . 10.0 111.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.54 -56.78 0.63 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.313 0.645 . . . . 10.0 112.708 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.647 ' O ' " H5'" ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -101.43 155.06 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.524 0.202 . . . . 10.0 111.103 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -77.86 -87.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.32 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CE2' H5'' ' B' ' 1' ' ' ' DC' . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HZ1' ' P ' ' B' ' 4' ' ' ' DA' . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.755 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.757 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.48 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 O4'-C1'-C2' 104.231 -1.699 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.55 -2.25 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.474 ' P ' ' HZ1' ' A' ' 63' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.47 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.721 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 100.346 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.721 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 100.113 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.598 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.162 0 C3'-C2'-C1' 99.313 -2.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.598 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.903 -1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.794 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.794 ' H71' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 100.147 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.927 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.758 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.511 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.836 -2.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.504 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.686 -2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.592 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.745 -2.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.592 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.983 -1.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.572 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.51 -0.787 0 C3'-C2'-C1' 99.631 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.814 H2'' ' H72' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.882 -2.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.814 ' H72' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.925 -1.982 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.743 H2'' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.728 -2.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.743 ' H73' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.755 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.231 -0.747 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 56.99 51.68 10.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.145 0.497 . . . . 10.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' H5'' ' B' ' 11' ' ' ' DC' . 0.2 OUTLIER -167.97 130.07 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.013 -179.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -81.63 -89.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' O ' ' H72' ' C' ' 19' ' ' ' DT' . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.557 ' CG2' ' H73' ' B' ' 5' ' ' ' DT' . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.518 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.755 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.455 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 100.127 -1.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.59 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 C3'-C2'-C1' 100.181 -1.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.59 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.557 ' H73' ' CG2' ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.109 -1.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.55 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.791 -2.078 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.869 -2.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.52 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.029 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.52 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.709 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 99.954 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.765 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.765 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.89 0 C3'-C2'-C1' 99.947 -1.966 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.558 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.542 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.782 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 99.717 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.782 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.562 ' H72' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.718 0 C3'-C2'-C1' 99.72 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.508 H2'' " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.912 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 1.02 H2'' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 1.02 ' H72' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.058 -1.887 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.534 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 99.808 -2.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.662 -0.575 . . . . 10.0 111.662 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 63.14 30.54 16.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.44 0.638 . . . . 10.0 111.342 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' H5'' ' B' ' 11' ' ' ' DC' . 0.4 OUTLIER -145.4 132.97 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.674 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -84.13 -92.56 0.08 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' H71' ' C' ' 17' ' ' ' DT' . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HZ2' ' P ' ' C' ' 15' ' ' ' DT' . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 100.007 -1.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.483 ' H8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.017 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.506 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 100.123 -1.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.506 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 99.864 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.624 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.044 -1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.592 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.592 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.744 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.541 H2'' ' H73' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.636 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.743 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.016 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.743 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 C3'-C2'-C1' 99.768 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.74 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.168 -1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.74 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 C3'-C2'-C1' 99.713 -2.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.725 ' H73' H2'' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.46 -2.314 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.915 H2'' ' H73' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.915 ' H73' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.789 -2.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.502 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.094 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.678 H2'' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.793 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.71 H2'' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 100.062 -1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.71 ' H72' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 99.814 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.592 -2.22 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.555 -0.618 . . . . 10.0 111.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 70.53 -51.17 0.66 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.765 . . . . 10.0 112.903 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 149.15 47.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.902 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -93.81 -89.49 0.22 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HZ3' ' P ' ' B' ' 2' ' ' ' DA' . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' O ' ' H73' ' C' ' 19' ' ' ' DT' . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' HZ1' ' P ' ' B' ' 4' ' ' ' DA' . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.798 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 100.134 -1.833 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.483 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.643 ' OP2' " H2'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.098 -1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.613 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.821 -2.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.622 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 100.046 -1.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.622 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.647 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.647 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.886 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.601 H2'' ' C7 ' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.867 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.71 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.839 -2.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.867 -2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.811 -2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.67 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.518 H2'' ' C5 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.779 0 C3'-C2'-C1' 99.492 -2.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.798 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.081 -1.871 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.844 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.927 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.844 ' H71' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.523 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.952 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.771 H2'' ' H73' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.771 ' H73' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 100.208 -1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.6 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.956 -1.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.88 -2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.704 -0.559 . . . . 10.0 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 62.57 44.78 6.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 111.761 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -103.21 165.9 10.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.089 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -145.72 -153.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.645 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' NZ ' " H3'" ' B' ' 4' ' ' ' DA' . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HZ1' " H3'" ' C' ' 14' ' ' ' DT' . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.75 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 103.991 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.614 -2.204 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.503 ' OP2' ' H8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.968 -1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.54 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 99.666 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.54 ' C5 ' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 100.219 -1.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.982 -1.942 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.496 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.496 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.742 -2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.775 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.451 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.0 -1.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.573 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.573 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.797 -2.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.791 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.791 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.913 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.645 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.105 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.541 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.066 -1.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.538 ' H72' " C2'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.955 -1.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.468 H2'' ' C5 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 100.002 -1.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.468 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.856 -2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.75 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 104.132 -1.789 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.013 -0.435 . . . . 10.0 112.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.77 10.17 6.6 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' O ' H5'' ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -84.66 143.22 29.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -89.63 -97.1 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.537 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.617 ' OD1' ' H73' ' C' ' 17' ' ' ' DT' . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.642 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HZ2' " H3'" ' C' ' 15' ' ' ' DT' . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.786 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.786 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 99.966 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.876 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 100.15 -1.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.876 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 100.009 -1.922 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.764 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.304 -1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.764 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.485 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.632 -2.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.485 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 100.012 -1.92 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.615 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.593 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.615 ' H71' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.751 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.933 -1.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.751 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.918 -1.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.721 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.561 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.787 -2.081 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.632 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.642 " H3'" ' HZ1' ' A' ' 61' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.783 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.643 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.643 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.601 ' H73' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 100.131 -1.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.503 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.613 -2.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.861 -2.028 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.512 -0.181 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.451 ' HB ' HG22 ' A' ' 17' ' ' VAL . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 15' ' ' THR . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 21' ' ' GLU . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 20' ' ' LYS . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HH11 ' A' ' 58' ' ' ARG . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 40' ' ' ILE . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' HG3' ' A' ' 25' ' ' GLU . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 41' ' ' SER . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' HZ ' ' HB2' ' A' ' 25' ' ' GLU . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 60' ' ' VAL . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 59' ' ' ARG . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 57' ' ' ASN . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 18' ' ' GLN . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 19' ' ' LEU . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.816 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.73 ' HG3' HD11 ' A' ' 40' ' ' ILE . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 32' ' ' ILE . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' HD13 ' A' ' 46' ' ' LEU . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 44' ' ' THR . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 59' ' ' ARG . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' VAL . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 61' ' ' LYS . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HG2' HH11 ' A' ' 58' ' ' ARG . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 40' ' ' ILE . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.667 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 25' ' ' GLU . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 50' ' ' GLN . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.611 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.6 tt0 -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HD2' ' A' ' 31' ' ' PHE . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.536 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD1' ' HB ' ' A' ' 33' ' ' THR . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 38' ' ' ARG . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.611 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 49' ' ' ARG . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 56' ' ' GLN . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 65' ' ' VAL . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' GLU . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.703 0.287 . . . . 10.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 11' ' ' ARG . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 40' ' ' ILE . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 48' ' ' GLU . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 25' ' ' GLU . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 37' ' ' ARG . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 50' ' ' GLN . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 61' ' ' LYS . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' HB ' ' A' ' 15' ' ' THR . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' HD11 ' A' ' 40' ' ' ILE . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.668 HD11 ' HG3' ' A' ' 25' ' ' GLU . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 50' ' ' GLN . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.589 ' HB2' ' HG ' ' A' ' 46' ' ' LEU . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 37' ' ' ARG . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' ILE . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HB2' HG21 ' A' ' 44' ' ' THR . 16.3 tm0? -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HD11 ' A' ' 40' ' ' ILE . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 25' ' ' GLU . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 18' ' ' GLN . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 44' ' ' THR . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' ' HG2' ' A' ' 50' ' ' GLN . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' OG ' ' A' ' 47' ' ' SER . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 60' ' ' VAL . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 57' ' ' ASN . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' ILE . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' GLU . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 12' ' ' VAL . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' HD3' ' A' ' 24' ' ' ARG . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' HD11 ' A' ' 40' ' ' ILE . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 51' ' ' VAL . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 39' ' ' ARG . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 25' ' ' GLU . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 62' ' ' GLU . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 58' ' ' ARG . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 56.1 mttt . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 10' ' ' LYS . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 40' ' ' ILE . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 36' ' ' LYS . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.702 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 18' ' ' GLN . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 51' ' ' VAL . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.537 -0.172 . . . . 10.0 110.537 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' A' ' 15' ' ' THR . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 17' ' ' VAL . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 HG22 ' A' ' 15' ' ' THR . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.643 ' HG2' HH11 ' A' ' 58' ' ' ARG . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.566 ' HG3' HD11 ' A' ' 40' ' ' ILE . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 36' ' ' LYS . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' CB ' ' HB ' ' A' ' 32' ' ' ILE . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 ' HG3' ' A' ' 25' ' ' GLU . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 51' ' ' VAL . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.574 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.643 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' LYS . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.731 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.105 -0.398 . . . . 10.0 112.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 57.25 55.86 5.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.54 0.686 . . . . 10.0 111.603 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.49 157.84 41.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 31.2 mmtp -101.67 -99.38 0.27 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.512 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG13 H5'' ' B' ' 10' ' ' ' DT' . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.451 ' HB ' HG22 ' A' ' 17' ' ' VAL . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 15' ' ' THR . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 21' ' ' GLU . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 20' ' ' LYS . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HH11 ' A' ' 58' ' ' ARG . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 40' ' ' ILE . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' HG3' ' A' ' 25' ' ' GLU . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 41' ' ' SER . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' HZ ' ' HB2' ' A' ' 25' ' ' GLU . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 60' ' ' VAL . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 59' ' ' ARG . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 ' H73' ' B' ' 5' ' ' ' DT' . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.782 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.695 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.794 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.935 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.794 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.821 0 C3'-C2'-C1' 99.92 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.832 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 100.073 -1.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.832 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C3'-C2'-C1' 99.986 -1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.656 ' H73' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.347 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.785 -2.082 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.834 -2.047 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.48 " H4'" ' O ' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.748 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.748 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.922 0 C3'-C2'-C1' 99.75 -2.107 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.863 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.695 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.782 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 99.408 -2.351 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 C3'-C2'-C1' 99.843 -2.041 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.718 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 104.062 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.718 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 O4'-C1'-C2' 104.2 -1.727 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.642 ' C6 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.891 -2.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.506 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.703 -2.141 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.726 -2.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.784 -0.526 . . . . 10.0 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 45.2 20.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.322 0.582 . . . . 10.0 111.534 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 142.83 49.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.562 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 27.6 mmtp -90.97 -97.76 0.11 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.988 -0.285 . . . . 10.0 110.536 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 H5'' ' B' ' 10' ' ' ' DT' . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 18' ' ' GLN . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 19' ' ' LEU . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.816 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.73 ' HG3' HD11 ' A' ' 40' ' ' ILE . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 32' ' ' ILE . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' HD13 ' A' ' 46' ' ' LEU . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 44' ' ' THR . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.713 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.42 ' HG2' ' C8 ' ' B' ' 2' ' ' ' DA' . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.499 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 61' ' ' LYS . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.528 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.749 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 100.173 -1.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.652 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.121 -1.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.913 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.913 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.814 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.628 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 100.215 -1.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.628 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.678 0 C3'-C2'-C1' 100.116 -1.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.566 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.788 0 C3'-C2'-C1' 99.846 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.566 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 100.087 -1.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.848 -2.037 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.648 H5'' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.792 -2.077 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.756 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.756 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.793 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.771 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 104.255 -1.677 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.771 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.794 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.67 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.646 -2.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.67 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.722 0 C3'-C2'-C1' 99.975 -1.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.752 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.965 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.752 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.221 -1.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.66 ' C6 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 100.088 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.655 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 104.021 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.597 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.884 0 C3'-C2'-C1' 99.595 -2.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.749 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-C1' 99.619 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 71.41 -54.13 0.67 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.249 0.619 . . . . 10.0 112.55 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 1.046 ' HA ' " H4'" ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -53.86 142.9 22.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.152 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.663 ' HG3' ' O2 ' ' C' ' 14' ' ' ' DT' . 32.9 mmtp -93.46 -86.59 0.26 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.075 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG12 ' HE2' ' A' ' 9' ' ' LYS . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HG2' HH11 ' A' ' 58' ' ' ARG . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 40' ' ' ILE . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.667 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 25' ' ' GLU . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.024 HG23 ' H71' ' C' ' 19' ' ' ' DT' . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' HZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.611 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.583 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG21 ' C7 ' ' B' ' 5' ' ' ' DT' . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.627 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HZ3' ' P ' ' C' ' 15' ' ' ' DT' . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.054 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.488 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.822 0 C3'-C2'-C1' 100.049 -1.894 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.583 ' OP2' ' HD3' ' A' ' 59' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 100.153 -1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.975 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 99.673 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.975 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 104.094 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 100.008 -1.923 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.557 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.769 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.557 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 C3'-C2'-C1' 99.664 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.559 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.646 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.744 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 99.964 -1.954 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.744 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.629 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 99.85 -2.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.663 ' O2 ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 1.046 " H4'" ' HA ' ' A' ' 9' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 100.077 -1.873 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.627 " H3'" ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.904 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.604 ' C7 ' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.832 0 C3'-C2'-C1' 99.688 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.48 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.838 0 C3'-C2'-C1' 99.805 -2.068 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 1.024 ' H71' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.681 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.21 -1.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.681 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 O4'-C1'-C2' 104.108 -1.811 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.375 -0.29 . . . . 10.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 52.01 63.93 2.05 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.262 0.553 . . . . 10.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -163.86 124.46 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.861 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -77.78 -91.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG22 " H5'" ' B' ' 10' ' ' ' DT' . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' HB2' H5'' ' C' ' 17' ' ' ' DT' . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.6 tt0 -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HD2' ' A' ' 31' ' ' PHE . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.536 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD1' ' HB ' ' A' ' 33' ' ' THR . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 38' ' ' ARG . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.611 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 49' ' ' ARG . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.843 HG12 ' H71' ' C' ' 19' ' ' ' DT' . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 56' ' ' GLN . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HE3' " O5'" ' C' ' 15' ' ' ' DT' . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' GLU . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.859 -2.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.967 -1.952 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.606 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.995 -1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.832 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 100.072 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.832 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.926 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.657 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.971 -1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.588 ' C8 ' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.513 -2.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.477 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.093 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.504 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.687 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.699 " H5'" HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-C2' 103.942 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.774 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.721 -2.128 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.774 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 99.318 -2.415 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.929 -1.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.617 H2'' ' C7 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 C3'-C2'-C1' 99.586 -2.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.756 H2'' ' C6 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.855 -2.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.756 ' C6 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.973 -1.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.558 H5'' ' HB2' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 100.274 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.572 H2'' " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.236 -1.76 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.843 ' H71' HG12 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.46 ' C5 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.739 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 99.559 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.84 -0.504 . . . . 10.0 111.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.54 -56.78 0.63 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.313 0.645 . . . . 10.0 112.708 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' O ' " H5'" ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -101.43 155.06 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.524 0.202 . . . . 10.0 111.103 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 19.9 mmtp -77.86 -87.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.32 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 11' ' ' ARG . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 40' ' ' ILE . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' CE2' H5'' ' B' ' 1' ' ' ' DC' . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 48' ' ' GLU . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 25' ' ' GLU . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 37' ' ' ARG . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 50' ' ' GLN . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' NZ ' " H3'" ' B' ' 4' ' ' ' DA' . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 61' ' ' LYS . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.755 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.757 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.493 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 O4'-C1'-C2' 104.231 -1.699 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.493 ' C8 ' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.55 -2.25 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.593 H2'' ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.47 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.73 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 100.346 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.73 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 100.113 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.621 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.162 0 C3'-C2'-C1' 99.313 -2.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.621 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.903 -1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.621 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.7 " H4'" HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 100.147 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.927 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.758 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.513 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.836 -2.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.506 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.686 -2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.596 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.745 -2.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.596 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.983 -1.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.581 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.51 -0.787 0 C3'-C2'-C1' 99.631 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.882 -2.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.45 ' H71' HD12 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.925 -1.982 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.41 H2'' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.728 -2.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.41 ' H72' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.755 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.231 -0.747 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 56.99 51.68 10.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.145 0.497 . . . . 10.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -167.97 130.07 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.013 -179.384 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 27.0 mmtp -81.63 -89.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HD2' ' O2 ' ' C' ' 16' ' ' ' DT' . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' HB ' ' A' ' 15' ' ' THR . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' HD11 ' A' ' 40' ' ' ILE . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.668 HD11 ' HG3' ' A' ' 25' ' ' GLU . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 50' ' ' GLN . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.589 ' HB2' ' HG ' ' A' ' 46' ' ' LEU . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 37' ' ' ARG . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.677 HG23 ' H71' ' C' ' 19' ' ' ' DT' . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' ILE . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.642 HG21 ' H71' ' B' ' 5' ' ' ' DT' . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.755 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.443 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 100.127 -1.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.609 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 C3'-C2'-C1' 100.181 -1.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.609 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.642 ' H71' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.109 -1.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.564 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.791 -2.078 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.869 -2.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.537 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.029 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.537 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.709 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 99.954 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.765 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.765 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.89 0 C3'-C2'-C1' 99.947 -1.966 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.547 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.793 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 99.717 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.793 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.515 ' H72' ' C6 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.718 0 C3'-C2'-C1' 99.72 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.912 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.677 ' H71' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.557 ' C7 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.058 -1.887 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.553 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 99.808 -2.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.662 -0.575 . . . . 10.0 111.662 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 63.14 30.54 16.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.44 0.638 . . . . 10.0 111.342 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -145.4 132.97 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.674 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 29.8 mmtp -84.13 -92.56 0.08 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.805 ' HB2' H5'' ' C' ' 17' ' ' ' DT' . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HB2' HG21 ' A' ' 44' ' ' THR . 16.3 tm0? -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HD11 ' A' ' 40' ' ' ILE . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 25' ' ' GLU . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 18' ' ' GLN . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 44' ' ' THR . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' ' HG2' ' A' ' 50' ' ' GLN . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' OG ' ' A' ' 47' ' ' SER . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.482 HG23 ' C7 ' ' C' ' 19' ' ' ' DT' . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 60' ' ' VAL . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' H71' ' B' ' 5' ' ' ' DT' . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' ILE . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' GLU . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HZ2' ' P ' ' C' ' 15' ' ' ' DT' . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 100.007 -1.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.496 ' H8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.017 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.521 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 100.123 -1.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.521 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.681 ' H71' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 99.864 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.649 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.044 -1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.619 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.744 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.45 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.637 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.743 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.016 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.743 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 C3'-C2'-C1' 99.768 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.744 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.168 -1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.744 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 C3'-C2'-C1' 99.713 -2.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.703 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.46 -2.314 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.703 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.805 H5'' ' HB2' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.789 -2.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.557 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.094 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.557 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.793 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.555 H2'' ' C5 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 100.062 -1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.555 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 99.814 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.592 -2.22 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.555 -0.618 . . . . 10.0 111.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 70.53 -51.17 0.66 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.765 . . . . 10.0 112.903 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HA ' " H4'" ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -63.68 149.15 47.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.902 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.673 ' HG3' ' O2 ' ' C' ' 14' ' ' ' DT' . 31.2 mmtp -93.81 -89.49 0.22 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 12' ' ' VAL . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' HD3' ' A' ' 24' ' ' ARG . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' HD11 ' A' ' 40' ' ' ILE . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 51' ' ' VAL . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 39' ' ' ARG . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 25' ' ' GLU . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.619 HG23 ' C7 ' ' C' ' 19' ' ' ' DT' . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' ' H62' ' B' ' 3' ' ' ' DA' . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.546 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 58' ' ' ARG . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.818 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 100.134 -1.833 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.637 " H2'" ' OP2' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.098 -1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.752 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.821 -2.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.752 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 100.046 -1.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.64 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.661 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.886 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.761 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.867 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.761 ' H71' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.839 -2.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.867 -2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.811 -2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.673 ' O2 ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.779 0 C3'-C2'-C1' 99.492 -2.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.818 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.081 -1.871 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.565 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.927 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.409 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.952 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.662 H2'' ' C7 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.662 ' C7 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 100.208 -1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.621 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.956 -1.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.88 -2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.704 -0.559 . . . . 10.0 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 4.3 mmt180 62.57 44.78 6.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 111.761 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' OP1' ' B' ' 11' ' ' ' DC' . 18.4 pttp -103.21 165.9 10.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.089 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.722 ' HD3' " H5'" ' C' ' 15' ' ' ' DT' . 56.1 mttt -145.72 -153.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.641 ' HA ' " H4'" ' B' ' 10' ' ' ' DT' . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.655 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 40' ' ' ILE . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 36' ' ' LYS . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.702 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 18' ' ' GLN . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 51' ' ' VAL . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HD3' ' P ' ' B' ' 3' ' ' ' DA' . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' H72' ' B' ' 5' ' ' ' DT' . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' NZ ' " H3'" ' B' ' 4' ' ' ' DA' . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.697 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.75 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 103.991 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.489 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.614 -2.204 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.502 ' OP2' ' H8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.968 -1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.554 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 99.666 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.554 ' C5 ' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 100.219 -1.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.982 -1.942 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.518 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.518 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.742 -2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.775 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.641 " H4'" ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.0 -1.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.621 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.621 ' H71' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.797 -2.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.801 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.801 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.913 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.655 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.105 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.557 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.066 -1.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.471 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.955 -1.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.48 H2'' ' C5 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 100.002 -1.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.48 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.856 -2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.75 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 104.132 -1.789 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.013 -0.435 . . . . 10.0 112.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 8' ' ' ARG . 0.3 OUTLIER 65.77 10.17 6.6 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' H5'' ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -84.66 143.22 29.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG2' " H5'" ' C' ' 15' ' ' ' DT' . 23.4 mmmt -89.63 -97.1 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.537 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.611 ' HD2' ' H2 ' ' B' ' 8' ' ' ' DA' . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG12 ' HE2' ' A' ' 9' ' ' LYS . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' A' ' 15' ' ' THR . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 17' ' ' VAL . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 HG22 ' A' ' 15' ' ' THR . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.643 ' HG2' HH11 ' A' ' 58' ' ' ARG . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.566 ' HG3' HD11 ' A' ' 40' ' ' ILE . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 36' ' ' LYS . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' CB ' ' HB ' ' A' ' 32' ' ' ILE . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 ' HG3' ' A' ' 25' ' ' GLU . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 51' ' ' VAL . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.574 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.643 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' LYS . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.731 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.559 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.794 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.794 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 99.966 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.991 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 100.15 -1.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.991 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 100.009 -1.922 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.774 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.304 -1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.774 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.632 -2.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.611 ' H2 ' ' HD2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 100.012 -1.92 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.488 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.593 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.751 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.933 -1.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.751 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.918 -1.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.739 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.559 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.787 -2.081 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.652 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.652 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.783 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.644 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.644 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.599 ' C5 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 100.131 -1.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.452 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.531 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.613 -2.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.861 -2.028 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.512 -0.181 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.451 ' HB ' HG22 ' A' ' 17' ' ' VAL . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 15' ' ' THR . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 21' ' ' GLU . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 20' ' ' LYS . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HH11 ' A' ' 58' ' ' ARG . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 40' ' ' ILE . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' HG3' ' A' ' 25' ' ' GLU . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 41' ' ' SER . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' HZ ' ' HB2' ' A' ' 25' ' ' GLU . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 60' ' ' VAL . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 59' ' ' ARG . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 57' ' ' ASN . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 62' ' ' GLU . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 18' ' ' GLN . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 19' ' ' LEU . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.816 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.73 ' HG3' HD11 ' A' ' 40' ' ' ILE . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 32' ' ' ILE . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' HD13 ' A' ' 46' ' ' LEU . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 44' ' ' THR . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 59' ' ' ARG . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' VAL . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 61' ' ' LYS . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HG2' HH11 ' A' ' 58' ' ' ARG . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 40' ' ' ILE . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.667 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 25' ' ' GLU . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 50' ' ' GLN . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.611 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HD2' ' A' ' 31' ' ' PHE . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.536 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD1' ' HB ' ' A' ' 33' ' ' THR . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 38' ' ' ARG . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.611 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 49' ' ' ARG . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 56' ' ' GLN . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 65' ' ' VAL . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' GLU . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.703 0.287 . . . . 10.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 11' ' ' ARG . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 40' ' ' ILE . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' HE22 ' A' ' 56' ' ' GLN . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 48' ' ' GLU . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 25' ' ' GLU . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 37' ' ' ARG . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 50' ' ' GLN . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.55 HE22 ' HE1' ' A' ' 31' ' ' PHE . 2.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 61' ' ' LYS . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' HB ' ' A' ' 15' ' ' THR . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' HD11 ' A' ' 40' ' ' ILE . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.668 HD11 ' HG3' ' A' ' 25' ' ' GLU . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 50' ' ' GLN . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.589 ' HB2' ' HG ' ' A' ' 46' ' ' LEU . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 37' ' ' ARG . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' ILE . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HD11 ' A' ' 40' ' ' ILE . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 25' ' ' GLU . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 18' ' ' GLN . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 44' ' ' THR . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' ' HG2' ' A' ' 50' ' ' GLN . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' OG ' ' A' ' 47' ' ' SER . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 60' ' ' VAL . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 57' ' ' ASN . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' ILE . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' GLU . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 12' ' ' VAL . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' HD3' ' A' ' 24' ' ' ARG . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' HD11 ' A' ' 40' ' ' ILE . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 51' ' ' VAL . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 39' ' ' ARG . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 25' ' ' GLU . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 62' ' ' GLU . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 58' ' ' ARG . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 56.1 mttt . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 10' ' ' LYS . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 40' ' ' ILE . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 36' ' ' LYS . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.702 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 18' ' ' GLN . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 51' ' ' VAL . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.537 -0.172 . . . . 10.0 110.537 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' A' ' 15' ' ' THR . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 17' ' ' VAL . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 HG22 ' A' ' 15' ' ' THR . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.643 ' HG2' HH11 ' A' ' 58' ' ' ARG . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.566 ' HG3' HD11 ' A' ' 40' ' ' ILE . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 36' ' ' LYS . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' CB ' ' HB ' ' A' ' 32' ' ' ILE . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 ' HG3' ' A' ' 25' ' ' GLU . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 51' ' ' VAL . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.574 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.643 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' LYS . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.731 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.105 -0.398 . . . . 10.0 112.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 57.25 55.86 5.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.54 0.686 . . . . 10.0 111.603 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.49 157.84 41.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.873 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 31.2 mmtp -101.67 -99.38 0.27 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.512 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -64.77 148.74 50.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.875 0.369 . . . . 10.0 110.757 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG13 H5'' ' B' ' 10' ' ' ' DT' . 15.9 m -93.59 144.08 27.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.674 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -90.02 -172.83 0.62 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.979 2.453 . . . . 10.0 111.56 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -80.65 -125.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.23 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 ' HB ' HG22 ' A' ' 17' ' ' VAL . 1.1 p -90.18 138.07 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 10.0 110.822 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -65.49 -28.83 69.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.606 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 15' ' ' THR . 14.2 m -68.34 -35.4 70.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.537 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 57.6 tt0 -66.88 -50.94 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.87 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 4.0 mm? -61.99 -41.28 97.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.137 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 21' ' ' GLU . 35.8 ttpt -59.93 -52.16 66.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 20' ' ' LYS . 63.1 mm-40 -65.66 -32.07 73.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -63.01 -45.73 90.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HH11 ' A' ' 58' ' ' ARG . 48.7 mt-10 -67.21 -33.74 76.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.308 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -60.86 -57.69 11.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.33 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 40' ' ' ILE . 11.5 mm-40 -65.07 -35.29 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.909 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.91 -41.59 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.403 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -20.0 61.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.837 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -66.26 -29.25 69.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 10.0 110.204 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.87 -71.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.002 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 174.57 -47.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.573 -1.269 . . . . 10.0 107.573 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -138.47 161.32 37.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.482 -1.235 . . . . 10.0 108.574 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.09 173.99 13.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.834 0.349 . . . . 10.0 111.754 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.43 175.17 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.4 mptt -67.48 -34.27 76.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.954 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.37 -34.22 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 10.0 110.602 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -78.74 -41.82 29.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 12.5 ptt180 -63.9 -33.22 75.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.869 0.366 . . . . 10.0 110.651 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -67.21 -34.41 77.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.018 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -45.05 95.37 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.462 0.649 . . . . 10.0 109.273 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' HG3' ' A' ' 25' ' ' GLU . 14.1 mt -68.04 -41.95 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.907 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.2 t -58.91 -48.26 82.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.524 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.15 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.032 0.444 . . . . 10.0 111.711 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -81.06 -34.9 32.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.538 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -1.7 54.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 m120 63.81 28.95 14.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.262 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.58 -177.55 6.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.494 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -108.04 25.1 11.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.879 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 71.1 -53.32 0.68 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -51.01 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.628 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.07 -22.05 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 41' ' ' SER . 46.4 t -64.56 -39.73 86.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -72.09 -30.62 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.169 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 51.2 mm -66.87 -44.03 89.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.316 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -61.86 -30.93 71.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.148 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' HZ ' ' HB2' ' A' ' 25' ' ' GLU . 2.6 m-85 -64.75 -43.25 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.043 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 40.1 mt-30 -67.46 -37.9 83.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 60' ' ' VAL . 7.6 m-20 -61.62 -32.53 72.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.31 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -64.86 -27.58 68.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.225 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 59' ' ' ARG . 2.5 mmp_? -68.04 -35.65 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 ' H73' ' B' ' 5' ' ' ' DT' . 4.2 p -84.14 -20.2 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.157 0.503 . . . . 10.0 110.474 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -63.31 -49.2 74.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.562 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 3.1 pt-20 -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.178 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.85 -38.76 92.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.159 0.505 . . . . 10.0 109.786 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.782 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tttt -64.71 -37.43 87.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.432 -0.804 . . . . 10.0 110.874 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.25 -43.88 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.759 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -64.26 -34.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -70.83 -34.51 71.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.565 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.695 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 10.6 tptt -75.25 -32.83 61.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.734 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.48 65.33 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.487 0.66 . . . . 10.0 110.083 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -142.36 -39.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.217 -0.901 . . . . 10.0 109.927 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 56.32 45.01 23.73 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.011 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -95.16 -3.74 47.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.797 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.677 -0.678 . . . . 10.0 110.197 -179.634 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.794 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.935 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.794 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.821 0 C3'-C2'-C1' 99.92 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.832 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 100.073 -1.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.832 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C3'-C2'-C1' 99.986 -1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.656 ' H73' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.347 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.785 -2.082 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.834 -2.047 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.48 " H4'" ' O ' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.748 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.748 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.922 0 C3'-C2'-C1' 99.75 -2.107 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.863 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.695 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.782 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 99.408 -2.351 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 C3'-C2'-C1' 99.843 -2.041 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.718 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 104.062 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.718 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 O4'-C1'-C2' 104.2 -1.727 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.642 ' C6 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.891 -2.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.506 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.703 -2.141 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.726 -2.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.784 -0.526 . . . . 10.0 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 45.2 20.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.322 0.582 . . . . 10.0 111.534 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 142.83 49.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.562 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 27.6 mmtp -90.97 -97.76 0.11 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.988 -0.285 . . . . 10.0 110.536 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -67.4 155.95 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.458 0.474 . . . . 10.0 110.593 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 H5'' ' B' ' 10' ' ' ' DT' . 17.2 m -100.0 144.15 27.83 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.11 171.32 12.86 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.787 2.325 . . . . 10.0 111.612 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -72.55 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 10.0 112.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 18' ' ' GLN . 1.3 m -112.64 125.01 53.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.24 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 3.5 ptpp? -61.0 -44.0 98.07 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.689 0.625 . . . . 10.0 112.689 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.86 -29.04 43.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.994 0.426 . . . . 10.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 20.8 tt0 -65.11 -52.47 55.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 19' ' ' LEU . 2.9 mm? -60.59 -39.6 88.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -60.4 -43.7 96.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.975 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -72.95 -35.8 67.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 10.0 110.333 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -45.86 92.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.927 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.816 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 94.0 mt-10 -72.47 -20.3 61.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.73 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -47.18 68.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.053 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.73 ' HG3' HD11 ' A' ' 40' ' ' ILE . 22.7 mm-40 -69.89 -34.78 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.539 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.97 -31.03 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.435 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.288 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -30.39 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -160.14 -73.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.3 ttpp 170.71 -55.56 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.395 -0.821 . . . . 10.0 109.259 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -128.08 121.85 30.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.588 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 32' ' ' ILE . 1.7 pp -95.45 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.782 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.16 171.43 15.21 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.821 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.2 mptt -64.36 -31.34 72.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.44 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.48 -30.35 70.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 10.0 110.523 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -81.42 -38.84 25.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.844 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 19.0 ptt180 -64.5 -30.66 71.69 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -64.98 -36.97 86.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.509 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.61 81.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.404 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.1 mt -65.53 -42.76 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.225 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -63.43 -30.07 71.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.666 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.71 -40.01 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 10.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m -71.87 -29.5 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.671 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' HD13 ' A' ' 46' ' ' LEU . 17.3 p -98.46 -14.66 19.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.623 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.12 45.6 1.68 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.569 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 44' ' ' THR . 6.4 mp -102.36 -179.95 4.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.349 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.84 26.96 6.33 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.59 -43.29 0.52 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -51.48 -63.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.68 -30.14 70.55 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.67 -40.77 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -72.22 -44.84 62.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.57 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -58.86 -35.76 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.258 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.713 ' CZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.0 OUTLIER -62.48 -25.15 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.899 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -67.22 -42.36 84.18 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.973 0.416 . . . . 10.0 110.149 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.42 ' HG2' ' C8 ' ' B' ' 2' ' ' ' DA' . 25.1 mp0 -76.2 -29.69 57.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.406 0.622 . . . . 10.0 109.387 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 t-20 -66.33 -25.7 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.77 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.948 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.499 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 3.2 mmp_? -65.56 -27.67 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.525 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.13 -38.27 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.582 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HZ1' " H3'" ' C' ' 16' ' ' ' DT' . 66.5 mttm -61.5 -44.84 96.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.019 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -65.39 -42.83 92.2 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.77 -0.372 . . . . 10.0 111.4 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.52 -37.28 83.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 10.0 109.964 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 7.4 tttt -65.28 -48.69 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.196 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 61' ' ' LYS . 97.8 t -61.48 -45.04 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -34.42 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.888 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -75.91 -43.73 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 10.0 111.418 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.528 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 0.1 OUTLIER -70.77 -25.67 63.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.614 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.97 -14.67 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.865 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -76.16 -34.78 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.714 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m 50.01 63.06 2.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.797 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.0 t -119.52 12.41 12.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.242 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.399 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.749 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 100.173 -1.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.652 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.121 -1.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.913 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 C3'-C2'-C1' 99.976 -1.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.913 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.814 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.628 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 100.215 -1.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.628 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.678 0 C3'-C2'-C1' 100.116 -1.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.566 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.788 0 C3'-C2'-C1' 99.846 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.566 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 100.087 -1.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.848 -2.037 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.648 H5'' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.792 -2.077 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.756 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.756 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.793 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.771 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 104.255 -1.677 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.771 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.794 -2.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.67 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.646 -2.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.67 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.722 0 C3'-C2'-C1' 99.975 -1.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.752 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.965 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.752 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.221 -1.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.66 ' C6 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 100.088 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.655 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 104.021 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.597 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.884 0 C3'-C2'-C1' 99.595 -2.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.749 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-C1' 99.619 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 71.41 -54.13 0.67 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.249 0.619 . . . . 10.0 112.55 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 1.046 ' HA ' " H4'" ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -53.86 142.9 22.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.152 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.663 ' HG3' ' O2 ' ' C' ' 14' ' ' ' DT' . 32.9 mmtp -93.46 -86.59 0.26 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.075 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -55.33 137.38 47.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 10.0 110.725 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG12 ' HE2' ' A' ' 9' ' ' LYS . 6.9 m -89.0 140.66 29.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.388 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.83 175.86 10.51 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.416 2.077 . . . . 10.0 110.594 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -76.48 -81.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 10.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.43 141.3 45.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.801 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 6.0 ptpp? -62.55 -30.47 71.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.682 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 m -66.64 -37.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 10.0 110.707 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.67 -43.75 88.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.374 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.297 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.41 -49.7 75.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.265 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.88 -38.64 86.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.006 0.432 . . . . 10.0 110.628 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.11 -46.01 92.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.432 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HG2' HH11 ' A' ' 58' ' ' ARG . 25.6 mt-10 -68.05 -36.31 79.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.109 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -63.28 -46.52 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 40' ' ' ILE . 62.3 mm-40 -73.38 -29.77 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 10.0 110.76 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -70.06 -36.96 75.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.206 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.88 65.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.8 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.19 -24.61 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -177.57 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.392 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -177.24 -57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.3 133.44 46.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.4 pp -96.2 169.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.43 177.98 8.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.743 0.306 . . . . 10.0 111.659 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -61.25 -41.34 96.74 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.44 -33.53 74.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.552 0.691 . . . . 10.0 110.144 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.667 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 1.6 mmpp? -78.58 -37.14 43.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.44 -0.8 . . . . 10.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 10.0 111.055 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -62.61 -33.71 75.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.135 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 22.3 mtp-105 -61.62 -52.92 62.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.713 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 25' ' ' GLU . 10.4 mt -61.32 -41.84 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -60.71 -28.6 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.59 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.86 54.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.988 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -46.42 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.8 p -71.8 -23.25 61.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.53 0.205 . . . . 10.0 110.659 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.1 t30 73.76 19.52 3.18 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.967 0.792 . . . . 10.0 111.247 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -84.97 150.38 24.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.801 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.81 43.21 0.48 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 67.23 -53.72 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.966 1.099 . . . . 10.0 113.966 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -52.76 -51.71 59.46 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.593 0.357 . . . . 10.0 111.458 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 12.6 mm100 -62.21 -24.86 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.66 -46.72 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.381 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.024 HG23 ' H71' ' C' ' 19' ' ' ' DT' . 21.2 mm -56.49 -48.02 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.549 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' HZ2' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -68.97 -29.48 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.64 -44.66 89.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.023 0.439 . . . . 10.0 110.211 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.13 -37.4 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.99 -31.85 73.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.123 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.611 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.62 -26.23 68.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.59 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.583 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 1.5 mmp_? -65.27 -43.34 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.647 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG21 ' C7 ' ' B' ' 5' ' ' ' DT' . 6.7 p -77.94 -30.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.924 0.392 . . . . 10.0 110.508 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.627 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 44.0 tttp -61.41 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.873 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.48 -34.17 65.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.711 0.291 . . . . 10.0 110.968 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 -34.95 78.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.007 0.432 . . . . 10.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 13.7 ttpt -62.36 -36.89 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.692 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.35 -47.6 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.81 -33.76 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.803 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -69.79 -35.42 74.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HZ3' ' P ' ' C' ' 15' ' ' ' DT' . 22.4 mmtm -86.66 -10.46 53.74 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -71.12 -4.35 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -75.33 -46.19 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.896 0.379 . . . . 10.0 110.418 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.63 20.83 12.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.126 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 t -118.57 22.16 12.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.538 0.685 . . . . 10.0 110.58 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.939 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.054 -1.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.488 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.822 0 C3'-C2'-C1' 100.049 -1.894 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.583 ' OP2' ' HD3' ' A' ' 59' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 100.153 -1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.975 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 99.673 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.975 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 104.094 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 100.008 -1.923 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.557 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.769 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.557 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 C3'-C2'-C1' 99.664 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.559 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.646 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.744 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 99.964 -1.954 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.744 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.629 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 99.85 -2.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.663 ' O2 ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 1.046 " H4'" ' HA ' ' A' ' 9' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 100.077 -1.873 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.627 " H3'" ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.904 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.604 ' C7 ' H2'' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.832 0 C3'-C2'-C1' 99.688 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.48 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.838 0 C3'-C2'-C1' 99.805 -2.068 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 1.024 ' H71' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 C3'-C2'-C1' 99.801 -2.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.681 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.21 -1.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.681 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 O4'-C1'-C2' 104.108 -1.811 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.375 -0.29 . . . . 10.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 52.01 63.93 2.05 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.262 0.553 . . . . 10.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -163.86 124.46 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.861 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -77.78 -91.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.72 143.77 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG22 " H5'" ' B' ' 10' ' ' ' DT' . 4.3 m -77.23 147.38 76.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.646 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.05 153.21 46.71 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.445 2.096 . . . . 10.0 110.645 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' HB2' H5'' ' C' ' 17' ' ' ' DT' . 5.8 t80 -65.75 -68.6 0.35 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.953 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.22 121.89 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.79 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.42 -32.33 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 10.0 110.634 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 16.9 m -68.15 -37.0 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.521 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.28 -40.44 86.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.091 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.68 -37.6 76.4 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.024 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 36.3 ttmt -70.1 -45.56 66.68 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.279 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 40.1 mt-10 -59.24 -46.08 89.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.947 0.403 . . . . 10.0 110.546 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -48.0 83.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.278 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.34 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.971 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.4 mpt_? -65.83 -50.34 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.57 -32.47 74.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 10.0 110.584 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.48 -29.55 67.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.073 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.97 -23.11 59.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -26.26 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 10.0 110.804 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -172.49 -67.54 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.988 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HD2' ' A' ' 31' ' ' PHE . 29.1 ttpt 173.5 -55.72 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.857 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -128.78 150.19 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.915 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.96 156.07 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.315 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.536 ' HB ' ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.34 161.57 5.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.846 0.355 . . . . 10.0 111.869 -179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 8.2 mptt -55.11 -41.45 71.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.957 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD1' ' HB ' ' A' ' 33' ' ' THR . 6.7 p-10 -65.47 -25.87 67.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.96 0.41 . . . . 10.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -86.36 -35.23 19.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.882 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 10.2 ptt180 -74.01 -25.8 60.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 10.0 110.181 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 38' ' ' ARG . 34.3 ttp180 -61.14 -20.67 62.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 23.0 mtp180 -65.77 -43.33 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.441 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt -65.21 -38.19 82.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 1.5 m -63.99 -19.83 65.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.463 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.55 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.847 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -60.9 2.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.611 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -82.29 -5.36 58.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.73 80.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.124 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 7.9 mp -118.84 146.67 44.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.651 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 39.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 67.15 -66.54 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 49' ' ' ARG . 6.9 ttm180 -56.11 -35.35 66.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.47 -33.59 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.896 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.37 -46.51 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 10.0 109.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -31.12 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.306 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.843 HG12 ' H71' ' C' ' 19' ' ' ' DT' . 8.1 mt -62.46 -51.44 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.193 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 1.7 m-90 -72.43 -27.55 62.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 10.0 111.441 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -41.48 97.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.294 0.569 . . . . 10.0 109.527 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 5.9 mm100 -80.79 -28.67 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.23 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -65.17 -25.99 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.679 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 2.7 ttt85 -60.61 -25.04 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 56' ' ' GLN . 13.7 mmt85 -64.65 -42.75 95.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.766 0.317 . . . . 10.0 110.892 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.32 -28.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 24.8 mmmt -58.98 -50.72 73.03 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.667 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 12.9 pt-20 -75.1 -32.16 61.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.48 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.7 -41.59 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 10.0 109.918 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HE3' " O5'" ' C' ' 15' ' ' ' DT' . 4.7 tmtt? -62.65 -37.09 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.553 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.9 t -64.9 -45.0 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' GLU . 32.8 mt -67.94 -34.78 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 10.0 110.458 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -60.1 -44.31 94.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -90.0 7.23 38.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.57 -22.98 37.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -89.42 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.276 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m 46.23 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 t -105.51 7.81 33.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.456 0.646 . . . . 10.0 109.911 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.513 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.859 -2.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.967 -1.952 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.606 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.995 -1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.832 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 100.072 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.832 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.926 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.657 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.971 -1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.588 ' C8 ' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.513 -2.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.477 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.093 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.504 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.687 -2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.699 " H5'" HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-C2' 103.942 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.774 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.721 -2.128 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.774 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 99.318 -2.415 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.929 -1.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.617 H2'' ' C7 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 C3'-C2'-C1' 99.586 -2.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.756 H2'' ' C6 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.855 -2.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.756 ' C6 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.973 -1.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.558 H5'' ' HB2' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 100.274 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.572 H2'' " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.236 -1.76 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.843 ' H71' HG12 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.46 ' C5 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.739 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 99.559 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.84 -0.504 . . . . 10.0 111.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.54 -56.78 0.63 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.313 0.645 . . . . 10.0 112.708 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' O ' " H5'" ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -101.43 155.06 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.524 0.202 . . . . 10.0 111.103 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 19.9 mmtp -77.86 -87.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.32 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 11' ' ' ARG . 18.5 ttt-85 -71.2 157.88 37.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.133 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 11.3 m -100.2 150.2 36.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.24 166.16 14.39 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.586 2.191 . . . . 10.0 111.987 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 0.2 OUTLIER -64.59 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.06 141.88 42.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.641 0.257 . . . . 10.0 111.301 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.87 -47.94 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.71 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -63.88 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.963 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.13 -53.36 38.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 10.0 110.595 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.18 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.172 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 86.4 tttt -67.38 -42.94 82.57 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.427 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.9 -39.9 61.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.029 0.442 . . . . 10.0 110.402 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -56.6 -53.65 55.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.061 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -12.92 60.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.304 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 6.0 tpp180 -71.17 -50.41 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.103 -0.239 . . . . 10.0 110.363 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 40' ' ' ILE . 51.4 mm-40 -65.07 -31.3 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.53 . . . . 10.0 110.537 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.64 -31.91 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.103 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.05 55.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.754 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -46.46 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -144.37 -81.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.643 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? 179.38 -61.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.092 0.472 . . . . 10.0 109.903 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' HE22 ' A' ' 56' ' ' GLN . 10.1 t80 -114.0 150.3 34.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.76 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.1 pp -106.3 166.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.87 -175.78 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.976 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.23 -43.8 93.82 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.642 0.258 . . . . 10.0 111.357 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.36 -39.24 93.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 10.4 mmtt -66.43 -44.39 83.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 48' ' ' GLU . 25.1 ttp180 -61.32 -44.18 97.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -65.09 -35.72 82.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.925 0.393 . . . . 10.0 110.676 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -64.69 -51.07 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.524 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 25' ' ' GLU . 67.1 mt -64.88 -37.57 80.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.511 . . . . 10.0 110.338 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -64.77 -19.6 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.561 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.64 -45.25 12.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.677 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -35.83 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.865 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -95.02 -8.32 37.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.797 0.332 . . . . 10.0 111.311 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.13 66.45 1.16 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.601 0.715 . . . . 10.0 111.69 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -121.32 179.28 4.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.071 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -103.21 26.36 8.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 37' ' ' ARG . 9.7 mt-10 70.87 -43.91 0.57 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 54.7 mtt-85 -50.56 -61.03 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.892 0.477 . . . . 10.0 111.925 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 15.2 mm100 -59.45 -25.92 64.78 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.48 -49.43 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.07 78.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 50' ' ' GLN . 21.6 mm -57.01 -45.25 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -30.91 69.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.0 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.82 -43.5 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.55 HE22 ' HE1' ' A' ' 31' ' ' PHE . 2.4 mp0 -70.85 -39.81 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.1 m-80 -64.05 -27.5 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.88 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -60.3 -29.44 68.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.789 0.328 . . . . 10.0 110.622 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 2.6 mmp_? -72.16 -25.28 61.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.973 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -88.28 -21.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.449 . . . . 10.0 109.883 178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 21.4 mmmt -67.79 -46.03 73.13 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.32 -30.42 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.296 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' NZ ' " H3'" ' B' ' 4' ' ' ' DA' . 86.5 tttt -58.38 -42.53 87.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.168 0.508 . . . . 10.0 109.71 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -70.65 -38.42 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.119 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 61' ' ' LYS . 89.3 t -61.58 -40.94 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.71 -44.83 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.14 -39.82 86.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.361 0.6 . . . . 10.0 109.653 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -70.11 -21.85 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tp -68.59 -23.14 64.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 10.0 110.07 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -92.55 -53.08 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m 59.36 85.76 0.1 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.499 0.666 . . . . 10.0 111.279 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -87.56 9.55 20.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.902 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.127 -0.939 . . . . 10.0 109.989 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.755 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.757 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.493 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 O4'-C1'-C2' 104.231 -1.699 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.493 ' C8 ' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.55 -2.25 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.593 H2'' ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.47 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.73 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 100.346 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.73 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.82 0 C3'-C2'-C1' 100.113 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.621 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.162 0 C3'-C2'-C1' 99.313 -2.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.621 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.903 -1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.621 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.7 " H4'" HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 100.147 -1.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.766 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.927 -1.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.766 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.758 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.513 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.836 -2.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.506 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.686 -2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.596 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.745 -2.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.596 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.983 -1.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.581 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.51 -0.787 0 C3'-C2'-C1' 99.631 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.882 -2.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.45 ' H71' HD12 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.925 -1.982 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.41 H2'' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.728 -2.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.41 ' H72' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.755 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.231 -0.747 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 56.99 51.68 10.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.145 0.497 . . . . 10.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -167.97 130.07 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.013 -179.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 27.0 mmtp -81.63 -89.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HD2' ' O2 ' ' C' ' 16' ' ' ' DT' . 5.9 ttt180 -63.77 139.61 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 3.4 m -76.75 148.08 78.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.587 0.232 . . . . 10.0 111.166 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.22 157.08 42.02 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.367 2.045 . . . . 10.0 111.218 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.51 -71.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.293 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -152.55 135.55 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -58.82 -34.16 71.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -65.41 -31.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' HB ' ' A' ' 15' ' ' THR . 0.5 OUTLIER -66.8 -45.82 77.18 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.042 0.448 . . . . 10.0 110.558 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.9 mm? -64.55 -43.15 94.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.922 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -63.93 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.02 -46.46 87.51 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -60.17 -41.64 93.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 10.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.113 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -49.53 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.185 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' HD11 ' A' ' 40' ' ' ILE . 63.7 mm-40 -63.12 -38.65 92.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.203 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 10.0 110.619 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.909 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -25.29 67.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.483 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -176.67 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 178.3 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.338 -0.846 . . . . 10.0 108.912 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.1 146.58 42.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.488 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.92 152.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.562 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.2 159.41 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -60.27 -38.38 83.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.151 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -14.67 62.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.314 0.578 . . . . 10.0 111.004 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mmpp? -91.98 -37.67 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.397 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -67.87 -24.5 65.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.003 0.43 . . . . 10.0 110.993 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -62.97 -26.02 68.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.535 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 18.2 mtp-105 -63.05 -37.95 89.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.668 HD11 ' HG3' ' A' ' 25' ' ' GLU . 37.0 mt -70.19 -42.2 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.835 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 m -53.68 -38.09 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.582 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.04 -18.46 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 m -83.4 -47.96 10.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -105.64 11.93 31.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 t30 58.32 63.1 1.81 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.524 0.678 . . . . 10.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 50' ' ' GLN . 2.8 mp -108.97 139.41 43.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.115 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.35 40.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 69.17 -67.05 0.23 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -58.56 -29.83 66.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.357 . . . . 10.0 110.972 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.589 ' HB2' ' HG ' ' A' ' 46' ' ' LEU . 9.1 mm100 -62.33 -30.13 70.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 37' ' ' ARG . 43.5 t -65.2 -48.32 84.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -29.53 70.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.035 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.677 HG23 ' H71' ' C' ' 19' ' ' ' DT' . 19.8 mt -62.71 -49.79 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.055 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -26.71 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.681 0.277 . . . . 10.0 111.22 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -46.08 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.91 -32.43 45.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.441 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' ILE . 4.1 t-20 -61.67 -28.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -59.25 -30.56 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.466 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -61.69 -49.25 77.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.642 HG21 ' H71' ' B' ' 5' ' ' ' DT' . 12.7 p -71.22 -29.89 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 10.0 110.693 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 23.5 mmmt -61.66 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.167 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.14 -43.21 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -59.07 -41.25 87.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.682 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 10.4 tmtt? -60.63 -42.28 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.403 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.07 -43.79 98.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.971 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.56 -43.36 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -31.85 73.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.452 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -88.26 -0.26 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.03 -17.06 21.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.035 0.445 . . . . 10.0 110.286 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -64.84 -42.48 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.633 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m 55.02 62.2 2.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.227 0.537 . . . . 10.0 111.106 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.4 t -85.76 -7.22 58.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.079 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.804 -0.617 . . . . 10.0 110.343 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.755 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.443 " H2'" ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 100.127 -1.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.609 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 C3'-C2'-C1' 100.181 -1.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.609 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.642 ' H71' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.109 -1.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.564 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.791 -2.078 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.869 -2.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.537 H2'' ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.029 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.537 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 100.041 -1.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.709 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 99.954 -1.962 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.765 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.765 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.89 0 C3'-C2'-C1' 99.947 -1.966 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.547 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 C3'-C2'-C1' 99.549 -2.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.793 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 99.717 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.793 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.781 -2.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.515 ' H72' ' C6 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.718 0 C3'-C2'-C1' 99.72 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.912 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.677 ' H71' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.557 ' C7 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.058 -1.887 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.553 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 99.808 -2.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.662 -0.575 . . . . 10.0 111.662 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 63.14 30.54 16.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.44 0.638 . . . . 10.0 111.342 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -145.4 132.97 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.674 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' " H1'" ' C' ' 14' ' ' ' DT' . 29.8 mmtp -84.13 -92.56 0.08 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -63.13 139.95 58.82 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG13 " H4'" ' B' ' 10' ' ' ' DT' . 3.1 m -77.87 145.63 70.6 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.3 . . . . 10.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.33 161.71 45.0 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.544 2.163 . . . . 10.0 111.734 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.805 ' HB2' H5'' ' C' ' 17' ' ' ' DT' . 4.8 t80 -73.2 -68.89 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.308 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.01 121.23 12.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -67.86 -30.1 69.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.84 -35.34 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.822 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -70.73 -39.5 73.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.823 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 1.6 mm? -57.95 -40.09 79.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.23 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.5 ttpt -64.14 -48.49 75.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.831 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.46 -45.94 88.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.76 -47.57 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.216 0.531 . . . . 10.0 110.1 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -64.68 -35.91 82.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.549 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.0 mpt_? -69.79 -49.62 51.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.566 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HD11 ' A' ' 40' ' ' ILE . 57.2 mm-40 -62.39 -36.47 82.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.031 0.443 . . . . 10.0 110.168 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.59 -43.63 89.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.839 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.18 -16.34 62.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.451 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 m -65.13 -34.57 78.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.156 0.503 . . . . 10.0 110.172 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.94 -66.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.512 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 177.57 -55.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -140.76 144.78 35.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.117 -0.947 . . . . 10.0 110.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.4 156.66 13.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.836 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 p -65.71 165.35 12.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.409 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 11.9 mptt -61.4 -35.98 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.018 0.437 . . . . 10.0 110.504 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -19.1 64.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.693 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -99.19 -30.19 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.88 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' LYS . 8.3 ptt180 -68.11 -25.46 65.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 110.047 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -63.63 -19.93 65.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.128 -0.942 . . . . 10.0 111.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 27.1 mtp180 -62.72 -53.76 49.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 25' ' ' GLU . 18.5 mt -61.68 -33.17 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.025 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -68.64 -17.61 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.55 -44.9 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 18' ' ' GLN . 1.7 m -101.28 1.16 38.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 10.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 t30 56.2 82.66 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 44' ' ' THR . 1.6 mm? -122.71 -173.42 2.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.992 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' ' HG2' ' A' ' 50' ' ' GLN . 5.7 p -109.9 25.08 12.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.181 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 74.12 -50.49 0.68 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.33 0.652 . . . . 10.0 112.324 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -62.64 -33.91 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' OG ' ' A' ' 47' ' ' SER . 6.7 mm100 -60.52 -27.72 67.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.1 t -62.43 -47.5 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.2 m -67.17 -31.74 72.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.917 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.482 HG23 ' C7 ' ' C' ' 19' ' ' ' DT' . 40.9 mt -58.51 -54.7 29.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.651 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -72.54 -27.01 61.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -48.75 80.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 10.0 110.417 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -78.78 -31.87 46.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.122 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 60' ' ' VAL . 63.0 t30 -60.49 -30.15 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.626 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -28.66 58.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.457 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -62.96 -44.37 96.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' H71' ' B' ' 5' ' ' ' DT' . 5.9 p -73.75 -24.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.059 0.457 . . . . 10.0 110.487 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HZ3' " H3'" ' C' ' 16' ' ' ' DT' . 29.7 mmmt -64.16 -52.65 57.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.082 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' ILE . 10.5 pt-20 -69.0 -37.32 78.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.914 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.84 -36.78 80.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.466 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 5.7 tmtt? -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.567 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.8 -45.07 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' GLU . 21.2 mt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.908 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.45 -43.15 81.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.35 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HZ2' ' P ' ' C' ' 15' ' ' ' DT' . 21.2 mmtp -80.22 -4.2 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 10.0 112.023 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.37 -14.18 58.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.86 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -71.88 -57.29 4.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.793 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 41.27 14.2 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -90.39 -11.94 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 109.845 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.701 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 100.007 -1.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.496 ' H8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.017 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.521 H2'' ' C8 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 100.123 -1.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.521 ' C8 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.681 ' H71' HG21 ' A' ' 60' ' ' VAL . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 99.864 -2.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.649 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.044 -1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.619 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.744 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.45 H2'' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.637 H2'' ' H6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.846 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.743 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.016 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.743 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 C3'-C2'-C1' 99.768 -2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.744 H2'' ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.168 -1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.744 ' C6 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 C3'-C2'-C1' 99.713 -2.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.703 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.46 -2.314 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.703 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 100.09 -1.864 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.805 H5'' ' HB2' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.789 -2.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.557 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.094 -1.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.557 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.793 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.555 H2'' ' C5 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 100.062 -1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.555 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 99.814 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 C3'-C2'-C1' 99.592 -2.22 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.555 -0.618 . . . . 10.0 111.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 70.53 -51.17 0.66 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.765 . . . . 10.0 112.903 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HA ' " H4'" ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -63.68 149.15 47.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.902 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.673 ' HG3' ' O2 ' ' C' ' 14' ' ' ' DT' . 31.2 mmtp -93.81 -89.49 0.22 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -56.7 134.66 54.96 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.429 0.455 . . . . 10.0 110.001 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 12' ' ' VAL . 2.8 m -74.59 138.27 74.11 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.29 163.77 37.66 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.42 2.08 . . . . 10.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.31 -65.25 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.49 130.87 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -62.08 -33.23 74.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 10.0 111.007 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -66.43 -35.9 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.424 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 tt0 -69.95 -46.6 64.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -35.08 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' HD3' ' A' ' 24' ' ' ARG . 85.4 tttt -65.42 -45.37 84.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.55 -43.9 96.73 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -60.27 -46.08 91.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.408 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -39.86 92.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.813 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.79 -53.84 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.59 -179.486 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' HD11 ' A' ' 40' ' ' ILE . 55.7 mm-40 -59.98 -36.74 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -70.66 -43.89 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.54 66.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 10.0 111.509 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 m -69.24 -29.65 67.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.756 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -156.91 -83.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -175.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.726 -1.213 . . . . 10.0 107.726 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -139.22 150.57 45.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.172 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.11 159.06 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.804 0.335 . . . . 10.0 111.0 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 p -82.17 172.4 13.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.51 -43.29 84.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.918 0.39 . . . . 10.0 111.781 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -66.47 -27.36 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.672 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -83.66 -33.47 25.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.744 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 51' ' ' VAL . 17.4 ptt180 -69.96 -22.88 63.12 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.87 0.367 . . . . 10.0 111.107 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -65.28 -29.47 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.694 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 39' ' ' ARG . 22.2 mtp180 -63.04 -51.16 67.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.243 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 25' ' ' GLU . 26.1 mt -61.77 -35.48 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 17.6 m -66.05 -14.63 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.346 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.95 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.719 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p -67.28 -55.46 13.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -95.01 -1.99 51.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 111.173 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.99 98.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.626 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 83.8 mt -141.32 154.15 45.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.865 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 32.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.3 -57.73 0.48 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.91 -38.49 72.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.941 0.401 . . . . 10.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -64.91 -21.51 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.225 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 37' ' ' ARG . 60.8 t -67.38 -44.53 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.04 83.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.187 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.619 HG23 ' C7 ' ' C' ' 19' ' ' ' DT' . 18.8 mm -52.72 -53.01 22.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.201 -0.909 . . . . 10.0 111.176 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.67 62.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.94 -0.304 . . . . 10.0 111.801 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -64.33 -42.8 96.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 10.0 110.586 179.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' ' H62' ' B' ' 3' ' ' ' DA' . 39.3 mt-30 -74.44 -35.95 63.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.826 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.18 -28.95 69.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.832 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -60.53 -29.15 68.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.595 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.546 ' HD3' ' OP2' ' B' ' 3' ' ' ' DA' . 2.2 mmp_? -58.24 -49.58 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.803 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.83 -34.1 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.918 0.389 . . . . 10.0 110.857 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 50.7 tttp -59.8 -49.44 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.307 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 58' ' ' ARG . 16.4 pt-20 -71.68 -24.88 61.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.774 0.321 . . . . 10.0 111.576 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.73 -35.59 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.818 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 16.4 ttpt -62.92 -29.85 71.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.491 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 43.1 t -63.99 -42.51 95.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.882 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.52 -32.9 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.212 0.53 . . . . 10.0 110.293 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -64.27 -54.35 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.558 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -76.12 -6.24 50.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.115 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 13.0 tp -70.68 -35.18 72.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 10.0 111.267 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 12.0 mmmm -65.42 -45.56 83.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.17 76.74 0.17 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.242 0.544 . . . . 10.0 111.461 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -142.69 36.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.672 0.749 . . . . 10.0 110.41 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.447 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 100.134 -1.833 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.637 " H2'" ' OP2' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 C3'-C2'-C1' 100.098 -1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.752 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.821 -2.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.752 ' H71' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 100.046 -1.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.64 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.661 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.875 -2.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.886 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.761 H2'' ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.867 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.761 ' H71' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.839 -2.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.757 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C3'-C2'-C1' 99.867 -2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.757 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.811 -2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.908 -1.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.673 ' O2 ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.779 0 C3'-C2'-C1' 99.492 -2.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.818 " H3'" ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.081 -1.871 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.565 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.927 -1.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.409 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.952 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.662 H2'' ' C7 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 99.851 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.662 ' C7 ' H2'' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 100.208 -1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.621 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.956 -1.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.88 -2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.704 -0.559 . . . . 10.0 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 4.3 mmt180 62.57 44.78 6.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 111.761 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' OP1' ' B' ' 11' ' ' ' DC' . 18.4 pttp -103.21 165.9 10.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.089 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.722 ' HD3' " H5'" ' C' ' 15' ' ' ' DT' . 56.1 mttt -145.72 -153.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.641 ' HA ' " H4'" ' B' ' 10' ' ' ' DT' . 28.7 ttt-85 -53.82 116.72 2.68 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.49 141.31 72.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.36 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.35 171.98 10.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.722 2.281 . . . . 10.0 110.947 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.655 ' CD1' H5'' ' C' ' 17' ' ' ' DT' . 2.0 m-85 -51.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.476 0.485 . . . . 10.0 111.904 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 136.78 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 10.0 110.763 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -62.71 -39.39 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.806 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.32 -27.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.934 0.397 . . . . 10.0 110.684 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.4 tt0 -69.44 -46.64 66.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.13 -41.44 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.21 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.86 -41.75 96.54 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.804 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.61 -46.29 86.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.104 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -59.48 -40.79 88.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.673 179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.85 -41.67 91.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.389 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -47.46 81.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.434 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 40' ' ' ILE . 20.9 mm-40 -65.65 -38.9 90.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.12 0.485 . . . . 10.0 110.838 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.26 -34.03 77.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.726 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.97 -17.63 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.723 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -75.68 -38.43 58.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 10.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -153.79 -76.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.203 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.1 tttt 176.51 -52.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.33 153.12 48.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.628 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 36' ' ' LYS . 23.2 pt -114.77 -178.73 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.698 0.285 . . . . 10.0 111.233 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -92.43 169.7 10.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 9.2 mptt -64.41 -38.47 91.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.157 0.503 . . . . 10.0 109.903 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.29 -37.52 87.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.036 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 32.6 tttm -76.21 -32.86 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -64.95 -26.17 68.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.83 0.348 . . . . 10.0 111.357 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 66.8 mtp85 -59.37 -31.08 68.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.071 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -62.86 -59.2 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.185 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.702 HD11 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -60.73 -38.34 78.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.415 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -60.47 -40.67 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.44 70.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.999 0.428 . . . . 10.0 110.928 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -70.77 -31.45 68.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.777 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 18' ' ' GLN . 29.9 p -102.48 0.42 33.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.71 43.26 15.73 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.84 0.829 . . . . 10.0 110.393 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mp -100.63 164.43 11.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.331 -0.849 . . . . 10.0 110.664 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.3 p -96.46 29.03 3.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.948 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 51' ' ' VAL . 39.8 mt-10 71.62 -46.89 0.65 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.049 0.539 . . . . 10.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -56.17 -53.27 59.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.995 0.426 . . . . 10.0 110.809 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.03 -37.27 86.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -64.32 -29.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 10.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.9 m -75.74 -32.93 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 43.4 mm -67.66 -43.07 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.686 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.99 -23.24 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 53' ' ' ILE . 18.0 mt-30 -79.06 -39.03 34.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.322 -0.854 . . . . 10.0 108.903 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 3.8 m-20 -60.49 -32.95 71.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.934 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -36.49 84.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.206 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HD3' ' P ' ' B' ' 3' ' ' ' DA' . 0.5 OUTLIER -69.41 -33.52 73.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.431 -179.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' H72' ' B' ' 5' ' ' ' DT' . 4.7 p -83.34 -23.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.066 0.46 . . . . 10.0 110.267 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 22.7 ttmm -69.39 -46.98 65.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.266 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.7 -29.64 70.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.703 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' NZ ' " H3'" ' B' ' 4' ' ' ' DA' . 80.2 tttt -60.83 -41.11 95.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.425 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.697 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 11.0 ttpt -68.23 -37.77 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.275 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.62 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.369 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.56 -38.93 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.1 -44.17 87.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.501 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 7.5 mmtp -81.03 -25.49 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.181 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.08 -25.65 67.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.971 0.415 . . . . 10.0 111.147 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -37.25 73.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.014 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 m 52.66 65.15 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.423 0.63 . . . . 10.0 112.245 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -129.4 11.11 5.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.61 -0.71 . . . . 10.0 110.295 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.75 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 103.991 -1.917 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.489 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.614 -2.204 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.502 ' OP2' ' H8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.844 0 C3'-C2'-C1' 99.968 -1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.554 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 99.666 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.554 ' C5 ' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 100.219 -1.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.982 -1.942 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.518 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.845 -2.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.518 ' C8 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.742 -2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.775 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.641 " H4'" ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.854 -2.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.0 -1.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 99.883 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.621 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.621 ' H71' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.797 -2.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.801 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.801 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.913 -1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.655 H5'' ' CD1' ' A' ' 14' ' ' TYR . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.105 -1.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.557 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.066 -1.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.471 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.955 -1.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.48 H2'' ' C5 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 100.002 -1.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.48 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.856 -2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.75 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 104.132 -1.789 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.013 -0.435 . . . . 10.0 112.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 8' ' ' ARG . 0.3 OUTLIER 65.77 10.17 6.6 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' H5'' ' B' ' 11' ' ' ' DC' . 0.0 OUTLIER -84.66 143.22 29.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG2' " H5'" ' C' ' 15' ' ' ' DT' . 23.4 mmmt -89.63 -97.1 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.537 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.611 ' HD2' ' H2 ' ' B' ' 8' ' ' ' DA' . 35.5 ttt180 -68.56 145.22 54.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.898 0.38 . . . . 10.0 110.672 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG12 ' HE2' ' A' ' 9' ' ' LYS . 18.6 m -83.08 138.31 42.68 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.824 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.27 -178.8 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.721 2.281 . . . . 10.0 111.929 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' A' ' 15' ' ' THR . 2.1 m-85 -80.01 -146.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.43 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 17' ' ' VAL . 5.1 m -68.95 123.03 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.918 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -59.11 -34.26 71.81 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 HG22 ' A' ' 15' ' ' THR . 3.9 m -68.02 -20.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.976 0.417 . . . . 10.0 111.342 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 63.4 tt0 -73.98 -51.73 15.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.13 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -64.47 -35.59 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.463 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.81 -47.13 80.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.997 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.72 -33.15 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -59.0 -46.07 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 10.0 110.291 179.522 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.643 ' HG2' HH11 ' A' ' 58' ' ' ARG . 33.4 mt-10 -67.58 -29.1 68.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.891 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -49.12 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.302 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.566 ' HG3' HD11 ' A' ' 40' ' ' ILE . 27.0 mm-40 -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.097 0.475 . . . . 10.0 110.311 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -64.91 -42.09 95.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.383 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.4 65.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -72.51 -26.56 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.777 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.87 -75.11 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp 179.2 -55.25 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -139.13 127.59 22.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 36' ' ' LYS . 1.4 pp -90.81 -177.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.887 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -78.55 173.18 12.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.403 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.68 -34.85 77.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 10.0 109.949 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -67.12 -34.83 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.74 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' CB ' ' HB ' ' A' ' 32' ' ' ILE . 7.4 mmtt -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.373 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 25.6 ptt180 -66.79 -29.97 70.05 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.006 0.432 . . . . 10.0 110.113 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -64.96 -34.41 78.36 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -47.44 85.46 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.482 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 ' HG3' ' A' ' 25' ' ' GLU . 6.5 mt -68.34 -43.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.864 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -56.94 -44.3 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.96 62.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.643 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -84.23 -37.57 21.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 10.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 18' ' ' GLN . 0.6 OUTLIER -99.22 2.31 45.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.51 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.83 46.28 5.15 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.857 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.87 175.45 5.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.223 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -112.52 42.79 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 51' ' ' VAL . 32.7 mt-10 67.41 -51.85 0.49 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.034 1.494 . . . . 10.0 115.034 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -50.52 -61.4 2.21 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -66.42 -27.45 40.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.04 0.448 . . . . 10.0 111.611 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 m -77.28 -38.92 49.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.809 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.21 -35.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' HA ' ' HB2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -64.44 -22.13 66.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -69.18 -39.73 78.53 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -76.72 -33.57 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.574 ' HB2' ' HA ' ' A' ' 54' ' ' TRP . 1.3 m-20 -64.46 -25.91 68.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.056 -0.974 . . . . 10.0 110.27 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.643 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -63.88 -36.31 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.101 179.204 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.87 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.52 -37.25 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.738 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' NZ ' " H3'" ' C' ' 16' ' ' ' DT' . 54.8 mttm -62.62 -52.33 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.09 -40.88 95.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -60.69 -44.37 96.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' NZ ' " H3'" ' C' ' 15' ' ' ' DT' . 4.8 tmtt? -62.62 -44.94 95.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' LYS . 93.6 t -61.16 -43.65 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 10.0 111.066 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.44 -35.13 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.554 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.731 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 37.5 t30 -78.81 -36.95 41.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.559 ' NZ ' " H3'" ' C' ' 14' ' ' ' DT' . 7.3 tptt -75.31 -30.74 60.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.03 -12.53 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 49.3 mttm -72.71 -40.91 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.621 -0.263 . . . . 10.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m 53.23 73.49 0.36 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.798 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.2 t -133.39 25.51 4.13 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.309 0.576 . . . . 10.0 111.066 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.703 179.635 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.794 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 99.952 -1.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.794 ' C8 ' H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 99.966 -1.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.991 " H1'" " H5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 100.15 -1.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.991 " H5'" " H1'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.835 0 C3'-C2'-C1' 100.009 -1.922 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.774 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 100.304 -1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.774 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 100.07 -1.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.632 -2.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.611 ' H2 ' ' HD2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 100.012 -1.92 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.488 ' C8 ' H2'' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.593 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 100.015 -1.918 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.751 ' O2 ' ' N2 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.933 -1.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.751 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.918 -1.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.739 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 100.281 -1.728 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.559 " H3'" ' NZ ' ' A' ' 68' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.787 -2.081 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.652 H2'' ' C5 ' ' C' ' 16' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.828 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.652 ' C5 ' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.783 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.644 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.644 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.994 -1.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.599 ' C5 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 100.131 -1.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.452 " H5'" " H1'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.053 -1.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.531 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.613 -2.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.861 -2.028 . . . . 10.0 . . . . . . . . . . 1 1 . 1 stop_ save_