data_1v64_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 1v64 _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 ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' CD1' ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' CE2' ' A' ' 28' ' ' TYR . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 81' ' ' PHE . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 28' ' ' TYR . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CE1' HD12 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 28' ' ' TYR . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.424 ' CE2' HD13 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.408 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' A' ' 28' ' ' TYR . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.42 HG11 ' HD2' ' A' ' 40' ' ' PRO . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 28' ' ' TYR . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.42 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 28' ' ' TYR . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CE2' HD13 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 28' ' ' TYR . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CD2' HD13 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 55' ' ' LEU . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 28' ' ' TYR . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.23 98.63 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -99.29 32.39 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.08 81.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -65.75 -47.48 75.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.48 163.06 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.96 -167.94 12.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -131.55 178.67 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 mt -128.16 25.93 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -114.61 -42.22 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.48 52.61 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -30.11 8.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.61 45.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.62 -48.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.36 -35.67 16.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.08 154.71 81.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.52 85.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -119.01 -39.78 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -95.58 -52.66 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -34.6 70.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.98 82.03 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -96.3 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 mt 63.27 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.55 164.59 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.24 -143.53 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.432 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.47 -43.4 44.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.498 2.132 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.62 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 m -64.39 -31.93 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -86.75 -58.71 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -173.04 90.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 104.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.62 -176.98 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 176.15 6.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 96.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.339 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mt -116.11 25.34 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -39.76 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 61.85 30.35 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -90.05 -25.27 20.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.12 30.34 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -57.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.31 -31.18 79.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.381 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -118.64 158.48 47.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' CD1' ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' CE2' ' A' ' 28' ' ' TYR . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 81' ' ' PHE . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.98 -2.78 83.31 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.29 -35.24 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.771 0.286 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -101.89 -54.64 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.53 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.71 63.36 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.81 31.38 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.5 mm 64.52 104.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -125.8 -176.72 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.82 -89.18 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -72.17 -45.27 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.1 m -154.26 107.08 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -92.66 -48.48 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.3 -46.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -161.32 10.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -132.85 42.0 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -139.36 111.47 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.85 8.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -133.46 -46.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 62.65 25.86 15.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -108.62 -36.88 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.87 32.95 20.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -92.58 -30.27 15.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -120.87 30.29 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.37 24.67 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 37.05 3.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.79 154.2 55.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.54 86.78 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.62 -35.67 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.43 -54.45 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.233 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -56.3 -33.15 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.3 mmt -66.96 -30.46 70.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.63 62.99 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -99.2 30.01 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 tt -106.97 41.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.028 0.442 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.5 m -136.93 91.84 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.49 170.72 18.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -167.98 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -123.28 118.51 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -140.07 171.11 14.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.504 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -126.34 90.64 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -139.54 -47.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 102.34 0.59 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -100.18 32.07 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -168.73 -44.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 109.15 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -112.21 138.98 48.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.68 25.12 8.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -107.25 -40.66 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.01 35.87 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -98.87 35.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -177.03 39.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 -59.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.93 -53.68 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 156.06 45.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 28' ' ' TYR . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.65 -0.08 88.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.97 -40.42 2.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -92.39 -58.64 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.44 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.69 -30.11 59.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.5 81.38 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.59 49.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mm 62.46 28.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 94.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.73 161.66 12.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.92 138.9 38.37 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.56 2.173 . . . . 0.0 112.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.46 81.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t 60.85 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.02 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -164.71 104.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.24 -28.12 12.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -131.45 44.93 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -150.9 -46.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.82 -148.48 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.91 166.92 21.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.14 25.89 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -104.98 -34.74 7.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.44 30.32 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -107.97 31.42 5.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -162.97 31.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.67 -30.17 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.68 -38.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.64 150.39 76.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CE1' HD12 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 28' ' ' TYR . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.424 ' CE2' HD13 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.28 -4.62 79.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -117.39 -40.17 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.54 -53.65 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -58.87 -31.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 13.6 mmt -73.22 -24.69 60.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.3 mt -106.65 54.08 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.18 33.59 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 tt -104.57 131.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.26 34.25 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.71 -91.93 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 76.96 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.557 2.171 . . . . 0.0 112.291 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.55 138.89 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t 60.33 102.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.465 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.16 -54.73 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -125.27 152.28 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.31 -62.75 1.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.393 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.47 -46.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.374 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.15 -47.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 123.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.97 -41.17 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 57.68 23.84 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -113.53 -27.9 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.94 40.13 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -98.05 30.49 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -155.89 30.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -157.9 -53.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 -28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 158.36 74.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.0 -4.17 88.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -117.91 -38.46 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.54 -55.85 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -29.22 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 37.2 mmt -69.45 -29.87 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.45 65.27 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -101.89 42.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.9 mt 66.65 31.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.0 p -120.25 127.17 52.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.36 -173.04 34.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 63.07 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 m -111.3 101.31 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -127.15 31.88 5.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.416 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p 58.59 175.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -123.6 149.04 45.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 58.74 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -158.63 117.26 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.8 158.71 23.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -132.83 160.56 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mt -108.08 24.78 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -32.54 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.41 48.34 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -88.06 -40.07 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.63 64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -117.17 -9.32 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.86 27.23 5.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -132.31 156.5 80.03 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.27 84.03 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.8 -38.33 3.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 -52.59 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.054 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -28.65 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.59 -29.86 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.8 mt -82.45 -44.81 15.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.88 30.81 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.2 tp -152.64 140.2 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -60.12 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.0 49.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.42 173.98 8.95 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 112.307 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.55 -51.95 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.7 p -173.91 122.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.519 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -87.02 104.17 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -109.69 112.41 24.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.99 -156.08 24.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -79.55 -36.36 38.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 60.29 62.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.13 165.31 38.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.65 146.31 24.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.62 25.34 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.83 -28.09 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.77 46.62 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 30.42 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -167.31 32.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 -68.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.83 -27.71 64.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.92 160.82 63.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.16 0.09 88.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -119.69 -37.22 3.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.737 0.269 . . . . 0.0 111.11 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.49 -60.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.034 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -55.27 -26.87 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmt -70.25 -29.85 66.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.2 mt -78.4 71.81 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -98.5 30.65 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 pt -127.0 142.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.66 101.71 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.44 67.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.55 -28.31 26.43 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.618 2.212 . . . . 0.0 112.283 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 p -151.14 140.16 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -98.39 34.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.456 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -76.73 92.73 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -107.51 36.68 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -110.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 p -69.08 178.2 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.49 -70.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.35 81.71 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -147.51 172.37 14.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.37 24.99 8.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -115.81 -32.39 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.991 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 46.83 5.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.81 30.67 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.69 30.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.24 10.36 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.381 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.3 -8.61 70.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.876 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.41 157.78 38.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' A' ' 28' ' ' TYR . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.73 -0.03 89.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -119.37 -41.72 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.01 -28.09 64.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mmt -71.18 -30.94 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -92.53 82.87 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -84.81 -19.98 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.42 45.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 p 60.23 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.6 159.56 21.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.604 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -22.33 26.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.636 2.224 . . . . 0.0 112.449 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -53.68 141.18 27.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -148.36 34.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.552 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.74 90.35 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.44 160.34 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 -132.24 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m 60.28 31.31 20.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -166.1 77.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.69 -176.9 19.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.69 -39.82 30.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt 59.87 25.27 14.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -29.01 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 64.51 36.78 8.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -78.22 -38.46 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -123.23 72.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -140.79 -72.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -27.75 39.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.59 155.28 81.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.88 -1.47 90.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -117.87 -33.48 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -100.85 -57.53 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -20.9 51.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.296 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.0 mmt -80.57 -44.87 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.5 mt -72.4 -58.63 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 58.39 30.27 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.9 tp -148.8 135.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.27 136.13 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.02 143.31 14.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.3 -44.66 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.185 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -36.95 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -80.22 -33.49 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -91.86 -70.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -73.35 146.52 45.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 114.71 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -68.13 176.64 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.84 -32.14 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.22 -142.64 9.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.44 155.0 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.41 25.76 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.76 -41.89 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.89 28.77 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -115.62 -36.51 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -97.83 35.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.44 -65.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . -61.87 -68.71 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.96 148.91 36.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.42 HG11 ' HD2' ' A' ' 40' ' ' PRO . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.59 -0.48 87.51 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.09 -39.42 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.274 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 -60.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.95 -22.97 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.388 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.3 mmt -76.91 -44.9 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.5 mt -77.67 -64.01 1.25 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 58.96 27.91 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.1 mm -145.04 -46.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 147.32 42.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.44 -70.14 0.51 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 -49.03 2.93 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.607 2.205 . . . . 0.0 112.267 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.05 123.21 37.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.61 81.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.523 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -141.5 -67.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -93.97 149.74 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 92.21 1.06 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 60.44 158.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.63 -46.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.05 -92.66 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.28 175.67 10.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -104.19 22.65 14.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 -27.31 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.07 41.01 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.348 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -106.66 30.19 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.86 32.8 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.65 -39.37 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.77 -32.18 3.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.19 153.99 77.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.14 68.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -110.05 -40.18 4.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.775 0.321 . . . . 0.0 111.051 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -92.3 -56.01 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.982 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.41 -29.64 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.83 -27.08 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.07 61.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.795 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -99.67 37.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 pt -125.74 118.26 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t -157.46 116.97 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.3 56.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -39.94 3.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.557 2.171 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -62.87 149.12 45.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.62 132.45 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -77.7 82.45 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -125.18 -44.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -143.58 163.63 32.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 132.41 42.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 -137.87 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -162.58 156.89 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 mt -103.11 25.66 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -106.0 -42.25 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.43 31.41 20.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -81.15 -31.19 34.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -102.62 88.67 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.87 -68.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.85 -28.13 4.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.342 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.76 159.21 33.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 28' ' ' TYR . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.68 -9.21 64.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -113.93 -35.19 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -99.41 -52.53 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.182 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.73 -38.52 72.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.48 -30.72 68.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.42 70.86 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.51 30.11 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.8 mm -96.01 122.82 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.3 m -92.3 -30.96 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.18 80.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.3 -43.51 2.17 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.657 2.238 . . . . 0.0 112.422 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 m -159.99 142.05 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -55.0 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 160.25 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -107.03 156.37 18.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 86.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.569 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -93.11 172.35 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -107.72 -35.49 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 98.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -144.01 157.71 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -119.84 24.41 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -113.38 -32.2 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.54 33.38 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -37.4 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -97.77 38.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -110.55 -36.66 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.13 -46.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -121.22 157.28 56.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.42 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 28' ' ' TYR . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.59 -0.17 88.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -119.97 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -93.02 -56.01 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -28.75 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 72.9 mmm -70.86 -30.65 67.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.73 76.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -114.45 30.83 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.05 133.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -83.64 152.13 24.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.37 -173.81 1.24 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.605 2.203 . . . . 0.0 112.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.11 168.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.21 178.73 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.57 -68.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -136.61 151.31 49.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.07 -88.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 112.45 11.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -168.39 121.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.27 94.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -112.34 -177.64 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.17 -42.87 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -67.74 -46.03 73.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.06 34.91 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -34.74 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -105.67 41.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.6 -46.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.62 22.62 36.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.653 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -160.05 150.66 15.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.31 0.04 85.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -119.52 -42.29 2.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.92 -55.99 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.13 -28.16 64.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.053 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 86.7 mmm -74.13 -30.2 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.26 88.89 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -116.78 29.31 8.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.98 179.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 m -136.54 124.22 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.27 -91.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.2 99.72 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.188 . . . . 0.0 112.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.31 171.21 7.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 m -93.88 177.95 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 -32.03 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.26 115.4 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 132.3 6.4 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -90.71 -35.23 15.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -81.24 -74.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.69 -69.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -132.96 150.87 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -104.45 25.64 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -44.32 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 58.69 41.99 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 31.55 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.41 31.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -54.26 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.87 -27.97 3.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -61.39 157.01 48.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.87 -3.09 83.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.37 -36.54 3.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.725 0.297 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.94 -56.56 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.062 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -26.17 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.6 -33.04 36.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -93.44 76.62 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -104.32 30.58 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -147.1 127.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -56.78 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.65 82.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.59 -34.74 64.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.588 2.192 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -119.86 -173.86 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -174.35 -42.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.24 -53.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -116.43 -173.74 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 -36.22 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.7 177.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 137.96 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 -172.9 16.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -117.41 175.45 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.81 -37.85 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -44.38 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 30.84 20.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -69.72 -31.77 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.14 89.82 3.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -157.45 -62.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.89 -30.38 4.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -127.33 152.39 76.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CE2' HD13 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 28' ' ' TYR . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.41 ' CD2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.73 -0.02 87.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -119.71 -37.57 3.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.761 0.281 . . . . 0.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -98.29 -58.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.113 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -27.64 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 34.5 mmt -71.55 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.41 70.74 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -96.43 9.72 40.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.472 HG23 HD12 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -156.44 166.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.9 m -68.82 94.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.32 -144.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.98 -24.69 52.68 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.442 2.095 . . . . 0.0 112.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.26 177.73 8.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.08 161.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.524 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -91.61 -36.36 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.01 -49.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.71 -171.1 31.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.51 137.06 40.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.95 105.35 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.74 -133.51 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.72 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 24.75 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.64 -40.35 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.08 35.69 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -101.38 -31.38 10.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.18 43.18 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.05 -44.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.9 -53.37 6.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.553 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.41 163.82 47.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.96 83.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.13 -38.0 3.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.77 0.319 . . . . 0.0 111.05 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -95.94 -53.41 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -24.77 66.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.59 -30.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -76.79 63.37 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.0 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.49 30.55 6.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.63 119.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.08 -43.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.68 -75.1 1.07 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.83 137.64 42.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.589 2.193 . . . . 0.0 112.283 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.96 86.1 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -84.68 158.77 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.85 147.69 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.95 -70.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 117.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.554 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -137.8 138.69 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -128.79 175.61 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 78.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.94 161.71 37.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.3 25.54 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -36.18 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 62.39 40.24 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -41.49 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.48 32.17 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.69 -46.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.49 -38.37 69.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -124.59 157.34 65.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CD2' HD13 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.78 0.12 86.99 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -119.0 -38.87 3.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -96.63 -55.35 2.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.54 -30.78 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.45 -30.76 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.45 73.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -71.82 -22.69 61.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.79 147.56 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 m -164.19 158.16 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.45 149.21 20.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.37 15.47 2.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.794 2.33 . . . . 0.0 112.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.76 62.64 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.29 -51.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.494 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -138.3 31.22 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.96 31.23 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 28.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -144.05 31.64 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 172.97 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.15 -169.27 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.9 169.99 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -107.48 -26.3 11.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -51.45 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.67 33.05 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.61 -31.12 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.7 46.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.1 23.25 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . 143.9 -28.69 1.99 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.19 154.09 61.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 55' ' ' LEU . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 28' ' ' TYR . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 15' ' ' GLY . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.03 -0.24 85.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -118.15 -37.37 3.38 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -99.37 -56.34 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -22.58 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.175 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.1 mmt -78.22 -28.33 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.06 -46.66 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.4 m120 57.6 31.51 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.4 mt 61.07 89.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.83 148.42 6.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 105.18 1.7 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.6 t -87.09 138.22 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 117.86 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HD2' HG13 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HG2' HD13 ' A' ' 27' ' ' LEU . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 47' ' ' LEU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 39' ' ' VAL . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.1 mm100 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.456 ' HE2' HD13 ' A' ' 55' ' ' LEU . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 72' ' ' LYS . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 89' ' ' GLU . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.642 ' HG2' HD13 ' A' ' 85' ' ' LEU . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 16' ' ' ARG . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.763 ' HG2' HD13 ' A' ' 27' ' ' LEU . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 ' HG2' ' A' ' 21' ' ' PRO . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.606 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 39' ' ' VAL . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.721 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' VAL . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 72' ' ' LYS . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 89' ' ' GLU . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.512 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.647 ' NH2' HG22 ' A' ' 93' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD21 ' CD ' ' A' ' 66' ' ' LYS . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.464 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.546 ' HB2' HG12 ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' THR . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 HG11 ' A' ' 39' ' ' VAL . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 7.9 mm100 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.877 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.877 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.464 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.602 ' CD ' HD21 ' A' ' 27' ' ' LEU . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.775 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.775 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.647 HG22 ' NH2' ' A' ' 16' ' ' ARG . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 82' ' ' LEU . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.796 ' HG2' HD13 ' A' ' 27' ' ' LEU . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 36' ' ' MET . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD13 ' A' ' 47' ' ' LEU . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB2' HG12 ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 42' ' ' THR . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD12 HG11 ' A' ' 39' ' ' VAL . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 59' ' ' GLU . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.93 ' HB3' HD22 ' A' ' 55' ' ' LEU . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.733 ' HD2' HD21 ' A' ' 27' ' ' LEU . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 85' ' ' LEU . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 ' OE2' ' A' ' 89' ' ' GLU . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.423 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HD11 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD23 ' SG ' ' A' ' 48' ' ' CYS . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.663 ' HE3' HD13 ' A' ' 47' ' ' LEU . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' HB2' HG12 ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' HE3' ' A' ' 36' ' ' MET . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD23 ' A' ' 32' ' ' LEU . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 72' ' ' LYS . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CE2' HD11 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.626 HD21 ' HB ' ' A' ' 93' ' ' VAL . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.626 ' HB ' HD21 ' A' ' 82' ' ' LEU . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 82' ' ' LEU . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.622 ' NH1' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.836 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 21' ' ' PRO . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HB2' HG12 ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 39' ' ' VAL . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 72' ' ' LYS . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.622 HG13 ' NH1' ' A' ' 16' ' ' ARG . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 82' ' ' LEU . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HD2' HG13 ' A' ' 93' ' ' VAL . 1.6 mpp_? . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.891 ' HG3' HD13 ' A' ' 27' ' ' LEU . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 ' HG3' ' A' ' 21' ' ' PRO . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 36' ' ' MET . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.408 ' CE ' HD11 ' A' ' 32' ' ' LEU . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.771 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HB2' HG12 ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 42' ' ' THR . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB3' HD21 ' A' ' 32' ' ' LEU . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 59' ' ' GLU . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.813 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CD2' ' HG ' ' A' ' 24' ' ' SER . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.702 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.813 HD13 HD21 ' A' ' 94' ' ' LEU . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 89' ' ' GLU . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' OE1' HD22 ' A' ' 85' ' ' LEU . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.595 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.813 HD21 HD13 ' A' ' 82' ' ' LEU . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.557 HD21 ' CG ' ' A' ' 66' ' ' LYS . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 48' ' ' CYS . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.402 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 42' ' ' THR . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 32' ' ' LEU . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.2 mm100 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.592 ' HA ' HD12 ' A' ' 55' ' ' LEU . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.557 ' CG ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 85' ' ' LEU . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 94' ' ' LEU . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.604 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 82' ' ' LEU . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 21' ' ' PRO . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' O ' HD12 ' A' ' 55' ' ' LEU . 8.0 mm100 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.719 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HD11 ' A' ' 85' ' ' LEU . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.624 HD21 ' HB ' ' A' ' 93' ' ' VAL . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 81' ' ' PHE . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.592 HH21 HG22 ' A' ' 93' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG3' HD13 ' A' ' 27' ' ' LEU . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 21' ' ' PRO . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.526 ' CE ' HD11 ' A' ' 32' ' ' LEU . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG11 HD12 ' A' ' 47' ' ' LEU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HG12 ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 42' ' ' THR . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD12 HG11 ' A' ' 39' ' ' VAL . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.782 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' CG ' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 82' ' ' LEU . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 85' ' ' LEU . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 93' ' ' VAL . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.739 HD13 ' HG2' ' A' ' 89' ' ' GLU . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.739 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 27' ' ' LEU . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 66' ' ' LYS . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE2' HD11 ' A' ' 55' ' ' LEU . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 ' SG ' ' A' ' 48' ' ' CYS . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 43' ' ' GLU . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.728 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.59 ' CB ' HG12 ' A' ' 39' ' ' VAL . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' THR . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' HG11 ' A' ' 39' ' ' VAL . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 72' ' ' LYS . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 76' ' ' VAL . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.75 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.709 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 82' ' ' LEU . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 27' ' ' LEU . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 66' ' ' LYS . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 48' ' ' CYS . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE3' HD11 ' A' ' 32' ' ' LEU . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' HG12 ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.789 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.699 HD13 HD21 ' A' ' 94' ' ' LEU . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.64 HD13 ' HG2' ' A' ' 89' ' ' GLU . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.64 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.699 HD21 HD13 ' A' ' 82' ' ' LEU . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD13 ' HG2' ' A' ' 21' ' ' PRO . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 48' ' ' CYS . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.405 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' HG12 ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 HD21 ' A' ' 94' ' ' LEU . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 89' ' ' GLU . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.557 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 82' ' ' LEU . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 27' ' ' LEU . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.707 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD11 ' CE ' ' A' ' 36' ' ' MET . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.554 ' CE ' HD11 ' A' ' 32' ' ' LEU . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB2' HG12 ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' LYS . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' HD21 ' A' ' 82' ' ' LEU . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' HD22 ' A' ' 82' ' ' LEU . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.754 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.584 ' CE ' HD11 ' A' ' 32' ' ' LEU . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.592 ' HB2' HG12 ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 42' ' ' THR . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 59' ' ' GLU . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.647 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' HE2' HD13 ' A' ' 55' ' ' LEU . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' CD ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.854 HD11 ' CE1' ' A' ' 81' ' ' PHE . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.532 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.74 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HB2' HG12 ' A' ' 39' ' ' VAL . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 HD12 HG11 ' A' ' 39' ' ' VAL . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' HE2' HD13 ' A' ' 55' ' ' LEU . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HD2' HD21 ' A' ' 27' ' ' LEU . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 HD21 ' A' ' 94' ' ' LEU . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD13 ' HG2' ' A' ' 89' ' ' GLU . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.713 ' HG2' HD13 ' A' ' 85' ' ' LEU . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 82' ' ' LEU . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 82' ' ' LEU . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HG2' HD13 ' A' ' 27' ' ' LEU . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.814 HD13 ' HG2' ' A' ' 21' ' ' PRO . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.835 ' CE2' HD11 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HD13 ' A' ' 47' ' ' LEU . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 47' ' ' LEU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 42' ' ' THR . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 52' ' ' TRP . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.842 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.666 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.494 ' HG ' HD22 ' A' ' 82' ' ' LEU . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' NE ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HG2' ' A' ' 21' ' ' PRO . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 42' ' ' THR . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.87 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 94' ' ' LEU . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.641 ' HG2' HD13 ' A' ' 85' ' ' LEU . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.78 HD21 HD13 ' A' ' 82' ' ' LEU . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 9.6 mpt_? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 27' ' ' LEU . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 21' ' ' PRO . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' SG ' ' A' ' 48' ' ' CYS . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.4 mm100 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.819 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' CG ' HD21 ' A' ' 27' ' ' LEU . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 72' ' ' LYS . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' A' ' 82' ' ' LEU . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD13 ' HG2' ' A' ' 21' ' ' PRO . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' SG ' ' A' ' 48' ' ' CYS . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 42' ' ' THR . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 32' ' ' LEU . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.821 HD22 ' CB ' ' A' ' 59' ' ' GLU . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.821 ' CB ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 72' ' ' LYS . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 94' ' ' LEU . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 82' ' ' LEU . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.23 98.63 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -99.29 32.39 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.08 81.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -65.75 -47.48 75.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.48 163.06 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.96 -167.94 12.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -131.55 178.67 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 mt -128.16 25.93 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -114.61 -42.22 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.48 52.61 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -30.11 8.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.61 45.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.62 -48.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.36 -35.67 16.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HD2' HG13 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -132.08 154.71 81.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HG2' HD13 ' A' ' 27' ' ' LEU . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 47' ' ' LEU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 39' ' ' VAL . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.1 mm100 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' HE2' HD13 ' A' ' 55' ' ' LEU . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 72' ' ' LYS . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 89' ' ' GLU . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.642 ' HG2' HD13 ' A' ' 85' ' ' LEU . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 16' ' ' ARG . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.52 85.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -119.01 -39.78 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -95.58 -52.66 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -34.6 70.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.98 82.03 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.3 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 mt 63.27 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.55 164.59 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.24 -143.53 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.432 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.47 -43.4 44.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.498 2.132 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.62 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 m -64.39 -31.93 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -86.75 -58.71 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -173.04 90.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 104.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.62 -176.98 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 176.15 6.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 96.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.339 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mt -116.11 25.34 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -39.76 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 61.85 30.35 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -90.05 -25.27 20.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.12 30.34 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -57.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.31 -31.18 79.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.381 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -118.64 158.48 47.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.763 ' HG2' HD13 ' A' ' 27' ' ' LEU . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 ' HG2' ' A' ' 21' ' ' PRO . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.606 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 39' ' ' VAL . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.721 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' VAL . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 72' ' ' LYS . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 89' ' ' GLU . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.512 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.98 -2.78 83.31 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.29 -35.24 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.771 0.286 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -101.89 -54.64 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.53 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.71 63.36 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.81 31.38 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.5 mm 64.52 104.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -125.8 -176.72 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.82 -89.18 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -72.17 -45.27 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.1 m -154.26 107.08 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -92.66 -48.48 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.3 -46.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -161.32 10.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -132.85 42.0 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -139.36 111.47 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.85 8.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -133.46 -46.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 62.65 25.86 15.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -108.62 -36.88 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.87 32.95 20.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -92.58 -30.27 15.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -120.87 30.29 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.37 24.67 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 37.05 3.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' NH2' HG22 ' A' ' 93' ' ' VAL . 0.3 OUTLIER -144.79 154.2 55.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.602 HD21 ' CD ' ' A' ' 66' ' ' LYS . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.546 ' HB2' HG12 ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' THR . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 HG11 ' A' ' 39' ' ' VAL . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 7.9 mm100 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.877 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.464 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.602 ' CD ' HD21 ' A' ' 27' ' ' LEU . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.775 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.647 HG22 ' NH2' ' A' ' 16' ' ' ARG . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.735 HD22 ' HD2' ' A' ' 98' ' ' LYS . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.54 86.78 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.62 -35.67 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.43 -54.45 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.233 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.735 ' HD2' HD22 ' A' ' 94' ' ' LEU . 4.9 tttt -56.3 -33.15 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.3 mmt -66.96 -30.46 70.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.63 62.99 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -99.2 30.01 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 tt -106.97 41.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.028 0.442 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.5 m -136.93 91.84 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.49 170.72 18.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -167.98 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -123.28 118.51 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -140.07 171.11 14.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.504 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -126.34 90.64 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -139.54 -47.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 102.34 0.59 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -100.18 32.07 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -168.73 -44.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 109.15 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -112.21 138.98 48.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.68 25.12 8.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -107.25 -40.66 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.01 35.87 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -98.87 35.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -177.03 39.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 -59.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.93 -53.68 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 156.06 45.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.796 ' HG2' HD13 ' A' ' 27' ' ' LEU . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 36' ' ' MET . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD13 ' A' ' 47' ' ' LEU . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB2' HG12 ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 42' ' ' THR . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD12 HG11 ' A' ' 39' ' ' VAL . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 59' ' ' GLU . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.93 ' HB3' HD22 ' A' ' 55' ' ' LEU . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.733 ' HD2' HD21 ' A' ' 27' ' ' LEU . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 85' ' ' LEU . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 ' OE2' ' A' ' 89' ' ' GLU . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.423 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.65 -0.08 88.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.97 -40.42 2.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -92.39 -58.64 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.44 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.69 -30.11 59.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.5 81.38 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.59 49.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 102' ' ' ILE . 21.9 mm 62.46 28.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 94.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.73 161.66 12.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.92 138.9 38.37 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.56 2.173 . . . . 0.0 112.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.46 81.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t 60.85 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.02 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -164.71 104.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.24 -28.12 12.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -131.45 44.93 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -150.9 -46.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.82 -148.48 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.91 166.92 21.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.14 25.89 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -104.98 -34.74 7.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.44 30.32 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -107.97 31.42 5.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -162.97 31.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.67 -30.17 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.68 -38.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.64 150.39 76.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HD11 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD23 ' SG ' ' A' ' 48' ' ' CYS . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.663 ' HE3' HD13 ' A' ' 47' ' ' LEU . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' HB2' HG12 ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' HE3' ' A' ' 36' ' ' MET . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD23 ' A' ' 32' ' ' LEU . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 72' ' ' LYS . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CE2' HD11 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.626 HD21 ' HB ' ' A' ' 93' ' ' VAL . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.626 ' HB ' HD21 ' A' ' 82' ' ' LEU . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 82' ' ' LEU . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.28 -4.62 79.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -117.39 -40.17 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.54 -53.65 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -58.87 -31.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 13.6 mmt -73.22 -24.69 60.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.3 mt -106.65 54.08 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.18 33.59 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 tt -104.57 131.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.26 34.25 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.71 -91.93 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 76.96 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.557 2.171 . . . . 0.0 112.291 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.55 138.89 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t 60.33 102.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.465 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.16 -54.73 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -125.27 152.28 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.31 -62.75 1.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.393 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.47 -46.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.374 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.15 -47.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 123.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.97 -41.17 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 57.68 23.84 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -113.53 -27.9 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.94 40.13 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -98.05 30.49 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -155.89 30.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -157.9 -53.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 -28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.622 ' NH1' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -135.29 158.36 74.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.836 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 21' ' ' PRO . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HB2' HG12 ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 39' ' ' VAL . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 72' ' ' LYS . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.622 HG13 ' NH1' ' A' ' 16' ' ' ARG . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 82' ' ' LEU . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.0 -4.17 88.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -117.91 -38.46 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.54 -55.85 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -29.22 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 37.2 mmt -69.45 -29.87 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.45 65.27 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -101.89 42.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' ILE . 22.9 mt 66.65 31.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.0 p -120.25 127.17 52.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.36 -173.04 34.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 63.07 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 m -111.3 101.31 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -127.15 31.88 5.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.416 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p 58.59 175.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -123.6 149.04 45.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 58.74 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -158.63 117.26 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.8 158.71 23.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -132.83 160.56 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mt -108.08 24.78 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -32.54 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.41 48.34 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -88.06 -40.07 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.63 64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -117.17 -9.32 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.86 27.23 5.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HD2' HG13 ' A' ' 93' ' ' VAL . 1.6 mpp_? -132.31 156.5 80.03 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.891 ' HG3' HD13 ' A' ' 27' ' ' LEU . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 ' HG3' ' A' ' 21' ' ' PRO . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 36' ' ' MET . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.408 ' CE ' HD11 ' A' ' 32' ' ' LEU . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.771 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HB2' HG12 ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 42' ' ' THR . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB3' HD21 ' A' ' 32' ' ' LEU . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 59' ' ' GLU . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.813 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CD2' ' HG ' ' A' ' 24' ' ' SER . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.702 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.813 HD13 HD21 ' A' ' 94' ' ' LEU . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 89' ' ' GLU . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' OE1' HD22 ' A' ' 85' ' ' LEU . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.595 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.813 HD21 HD13 ' A' ' 82' ' ' LEU . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.27 84.03 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.8 -38.33 3.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 -52.59 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.054 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -28.65 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.59 -29.86 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.8 mt -82.45 -44.81 15.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.88 30.81 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.2 tp -152.64 140.2 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -60.12 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.0 49.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.42 173.98 8.95 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 112.307 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.55 -51.95 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.7 p -173.91 122.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.519 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -87.02 104.17 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -109.69 112.41 24.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.99 -156.08 24.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -79.55 -36.36 38.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 60.29 62.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.13 165.31 38.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.65 146.31 24.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.62 25.34 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.83 -28.09 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.77 46.62 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 30.42 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -167.31 32.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 -68.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.83 -27.71 64.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.92 160.82 63.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD21 ' CG ' ' A' ' 66' ' ' LYS . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 48' ' ' CYS . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.402 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 42' ' ' THR . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 32' ' ' LEU . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.2 mm100 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.592 ' HA ' HD12 ' A' ' 55' ' ' LEU . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.557 ' CG ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 85' ' ' LEU . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 94' ' ' LEU . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.604 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 82' ' ' LEU . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.16 0.09 88.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -119.69 -37.22 3.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.737 0.269 . . . . 0.0 111.11 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.49 -60.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.034 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' A' ' 94' ' ' LEU . 3.4 tttm -55.27 -26.87 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmt -70.25 -29.85 66.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.2 mt -78.4 71.81 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -98.5 30.65 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 pt -127.0 142.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.66 101.71 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.44 67.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.55 -28.31 26.43 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.618 2.212 . . . . 0.0 112.283 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 p -151.14 140.16 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -98.39 34.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.456 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -76.73 92.73 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -107.51 36.68 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -110.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 p -69.08 178.2 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.49 -70.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.35 81.71 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -147.51 172.37 14.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.37 24.99 8.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -115.81 -32.39 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.991 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 46.83 5.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.81 30.67 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.69 30.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.24 10.36 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.381 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.3 -8.61 70.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.876 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.41 157.78 38.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 21' ' ' PRO . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' O ' HD12 ' A' ' 55' ' ' LEU . 8.0 mm100 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.719 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HD11 ' A' ' 85' ' ' LEU . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.624 HD21 ' HB ' ' A' ' 93' ' ' VAL . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 81' ' ' PHE . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 98' ' ' LYS . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.73 -0.03 89.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -119.37 -41.72 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 94' ' ' LEU . 7.0 tptt -58.01 -28.09 64.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mmt -71.18 -30.94 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -92.53 82.87 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -84.81 -19.98 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.42 45.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 p 60.23 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.6 159.56 21.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.604 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -22.33 26.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.636 2.224 . . . . 0.0 112.449 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -53.68 141.18 27.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -148.36 34.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.552 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.74 90.35 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.44 160.34 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 -132.24 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m 60.28 31.31 20.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -166.1 77.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.69 -176.9 19.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.69 -39.82 30.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt 59.87 25.27 14.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -29.01 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 64.51 36.78 8.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -78.22 -38.46 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -123.23 72.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -140.79 -72.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -27.75 39.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.592 HH21 HG22 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -131.59 155.28 81.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG3' HD13 ' A' ' 27' ' ' LEU . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 21' ' ' PRO . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.526 ' CE ' HD11 ' A' ' 32' ' ' LEU . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG11 HD12 ' A' ' 47' ' ' LEU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HG12 ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 42' ' ' THR . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD12 HG11 ' A' ' 39' ' ' VAL . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.782 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' CG ' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 82' ' ' LEU . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 85' ' ' LEU . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 93' ' ' VAL . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.739 HD13 ' HG2' ' A' ' 89' ' ' GLU . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.739 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.88 -1.47 90.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -117.87 -33.48 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -100.85 -57.53 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -20.9 51.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.296 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.0 mmt -80.57 -44.87 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.5 mt -72.4 -58.63 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 58.39 30.27 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.9 tp -148.8 135.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.27 136.13 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.02 143.31 14.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.3 -44.66 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.185 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -36.95 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -80.22 -33.49 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -91.86 -70.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -73.35 146.52 45.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 114.71 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -68.13 176.64 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.84 -32.14 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.22 -142.64 9.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.44 155.0 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.41 25.76 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.76 -41.89 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.89 28.77 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -115.62 -36.51 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -97.83 35.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.44 -65.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . -61.87 -68.71 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.96 148.91 36.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 27' ' ' LEU . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 66' ' ' LYS . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE2' HD11 ' A' ' 55' ' ' LEU . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 ' SG ' ' A' ' 48' ' ' CYS . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 43' ' ' GLU . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.728 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.59 ' CB ' HG12 ' A' ' 39' ' ' VAL . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' THR . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' HG11 ' A' ' 39' ' ' VAL . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 72' ' ' LYS . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 76' ' ' VAL . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.75 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.709 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 82' ' ' LEU . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.59 -0.48 87.51 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.09 -39.42 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.274 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 -60.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.95 -22.97 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.388 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.3 mmt -76.91 -44.9 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.5 mt -77.67 -64.01 1.25 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.587 ' O ' HD13 ' A' ' 102' ' ' ILE . 1.3 m-80 58.96 27.91 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ASN . 32.1 mm -145.04 -46.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 147.32 42.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.44 -70.14 0.51 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 -49.03 2.93 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.607 2.205 . . . . 0.0 112.267 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.05 123.21 37.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.61 81.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.523 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -141.5 -67.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -93.97 149.74 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 92.21 1.06 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 60.44 158.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.63 -46.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.05 -92.66 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.28 175.67 10.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -104.19 22.65 14.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 -27.31 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.07 41.01 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.348 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -106.66 30.19 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.86 32.8 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.65 -39.37 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.77 -32.18 3.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.19 153.99 77.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 27' ' ' LEU . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 66' ' ' LYS . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 48' ' ' CYS . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE3' HD11 ' A' ' 32' ' ' LEU . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' HG12 ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.789 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.699 HD13 HD21 ' A' ' 94' ' ' LEU . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.64 HD13 ' HG2' ' A' ' 89' ' ' GLU . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.699 HD21 HD13 ' A' ' 82' ' ' LEU . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.14 68.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -110.05 -40.18 4.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.775 0.321 . . . . 0.0 111.051 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -92.3 -56.01 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.982 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.556 ' HD2' HD22 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -55.41 -29.64 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.83 -27.08 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.07 61.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.795 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -99.67 37.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 pt -125.74 118.26 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t -157.46 116.97 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.3 56.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -39.94 3.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.557 2.171 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -62.87 149.12 45.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.62 132.45 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -77.7 82.45 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -125.18 -44.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -143.58 163.63 32.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 132.41 42.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 -137.87 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -162.58 156.89 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 mt -103.11 25.66 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -106.0 -42.25 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.43 31.41 20.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -81.15 -31.19 34.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -102.62 88.67 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.87 -68.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.85 -28.13 4.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.342 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.76 159.21 33.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD13 ' HG2' ' A' ' 21' ' ' PRO . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 48' ' ' CYS . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.405 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' HG12 ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 HD21 ' A' ' 94' ' ' LEU . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 89' ' ' GLU . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.557 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 82' ' ' LEU . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.68 -9.21 64.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -113.93 -35.19 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -99.41 -52.53 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.182 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.73 -38.52 72.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.48 -30.72 68.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.42 70.86 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.51 30.11 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.8 mm -96.01 122.82 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.3 m -92.3 -30.96 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.18 80.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.3 -43.51 2.17 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.657 2.238 . . . . 0.0 112.422 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 m -159.99 142.05 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -55.0 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 160.25 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -107.03 156.37 18.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 86.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.569 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -93.11 172.35 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -107.72 -35.49 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 98.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -144.01 157.71 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -119.84 24.41 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -113.38 -32.2 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.54 33.38 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -37.4 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -97.77 38.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -110.55 -36.66 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.13 -46.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -121.22 157.28 56.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 27' ' ' LEU . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.707 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD11 ' CE ' ' A' ' 36' ' ' MET . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.554 ' CE ' HD11 ' A' ' 32' ' ' LEU . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB2' HG12 ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 47' ' ' LEU . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' LYS . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' HD21 ' A' ' 82' ' ' LEU . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' HD22 ' A' ' 82' ' ' LEU . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.59 -0.17 88.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -119.97 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -93.02 -56.01 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.493 ' HD3' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.72 -28.75 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 72.9 mmm -70.86 -30.65 67.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.73 76.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -114.45 30.83 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.05 133.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -83.64 152.13 24.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.37 -173.81 1.24 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.605 2.203 . . . . 0.0 112.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.11 168.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.21 178.73 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.57 -68.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -136.61 151.31 49.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.07 -88.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 112.45 11.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -168.39 121.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.27 94.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -112.34 -177.64 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.17 -42.87 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -67.74 -46.03 73.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.06 34.91 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -34.74 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -105.67 41.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.6 -46.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.62 22.62 36.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.653 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -160.05 150.66 15.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.754 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.584 ' CE ' HD11 ' A' ' 32' ' ' LEU . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.592 ' HB2' HG12 ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 42' ' ' THR . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 59' ' ' GLU . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.647 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' HE2' HD13 ' A' ' 55' ' ' LEU . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' CD ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.854 HD11 ' CE1' ' A' ' 81' ' ' PHE . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.31 0.04 85.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -119.52 -42.29 2.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.92 -55.99 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 1.4 mmtt -58.13 -28.16 64.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.053 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 86.7 mmm -74.13 -30.2 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.26 88.89 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 98' ' ' LYS . 25.0 m-20 -116.78 29.31 8.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.98 179.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 m -136.54 124.22 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.27 -91.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.2 99.72 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.188 . . . . 0.0 112.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.31 171.21 7.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 m -93.88 177.95 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 -32.03 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.26 115.4 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 132.3 6.4 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -90.71 -35.23 15.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -81.24 -74.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.69 -69.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -132.96 150.87 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -104.45 25.64 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -44.32 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 58.69 41.99 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 31.55 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.41 31.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -54.26 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.87 -27.97 3.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -61.39 157.01 48.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.74 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HB2' HG12 ' A' ' 39' ' ' VAL . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD12 HG11 ' A' ' 39' ' ' VAL . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.514 ' HE2' HD13 ' A' ' 55' ' ' LEU . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HD2' HD21 ' A' ' 27' ' ' LEU . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 HD21 ' A' ' 94' ' ' LEU . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD13 ' HG2' ' A' ' 89' ' ' GLU . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.713 ' HG2' HD13 ' A' ' 85' ' ' LEU . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 82' ' ' LEU . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 82' ' ' LEU . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.87 -3.09 83.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mm-40 -117.37 -36.54 3.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.725 0.297 . . . . 0.0 111.103 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.94 -56.56 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.062 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -26.17 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.6 -33.04 36.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 96' ' ' GLU . 38.3 mt -93.44 76.62 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -104.32 30.58 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -147.1 127.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -56.78 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.65 82.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.59 -34.74 64.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.588 2.192 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -119.86 -173.86 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -174.35 -42.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.24 -53.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -116.43 -173.74 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 -36.22 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.7 177.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 137.96 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 -172.9 16.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -117.41 175.45 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.81 -37.85 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -44.38 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 30.84 20.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -69.72 -31.77 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.14 89.82 3.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -157.45 -62.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.89 -30.38 4.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -127.33 152.39 76.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HG2' HD13 ' A' ' 27' ' ' LEU . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.814 HD13 ' HG2' ' A' ' 21' ' ' PRO . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.835 ' CE2' HD11 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HD13 ' A' ' 47' ' ' LEU . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 47' ' ' LEU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 42' ' ' THR . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 52' ' ' TRP . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.842 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.666 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.494 ' HG ' HD22 ' A' ' 82' ' ' LEU . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.73 -0.02 87.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -119.71 -37.57 3.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.761 0.281 . . . . 0.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -98.29 -58.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.113 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -27.64 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 34.5 mmt -71.55 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.41 70.74 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -96.43 9.72 40.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -156.44 166.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.9 m -68.82 94.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.32 -144.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.98 -24.69 52.68 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.442 2.095 . . . . 0.0 112.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.26 177.73 8.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.08 161.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.524 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -91.61 -36.36 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.01 -49.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.71 -171.1 31.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.51 137.06 40.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.95 105.35 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.74 -133.51 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.72 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 24.75 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.64 -40.35 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.08 35.69 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -101.38 -31.38 10.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.18 43.18 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.05 -44.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.9 -53.37 6.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.553 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' NE ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -132.41 163.82 47.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HG2' ' A' ' 21' ' ' PRO . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 42' ' ' THR . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.87 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 94' ' ' LEU . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.641 ' HG2' HD13 ' A' ' 85' ' ' LEU . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.78 HD21 HD13 ' A' ' 82' ' ' LEU . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.96 83.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.13 -38.0 3.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.77 0.319 . . . . 0.0 111.05 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -95.94 -53.41 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -61.44 -24.77 66.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.59 -30.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -76.79 63.37 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.0 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.49 30.55 6.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 102' ' ' ILE . 9.2 tp -58.63 119.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.08 -43.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.68 -75.1 1.07 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.83 137.64 42.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.589 2.193 . . . . 0.0 112.283 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.96 86.1 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -84.68 158.77 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.85 147.69 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.95 -70.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 117.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.554 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -137.8 138.69 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -128.79 175.61 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 78.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.94 161.71 37.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.3 25.54 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -36.18 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 62.39 40.24 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -41.49 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.48 32.17 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.69 -46.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.49 -38.37 69.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 9.6 mpt_? -124.59 157.34 65.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 27' ' ' LEU . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 21' ' ' PRO . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' SG ' ' A' ' 48' ' ' CYS . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 8.4 mm100 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.819 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' CG ' HD21 ' A' ' 27' ' ' LEU . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 72' ' ' LYS . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' A' ' 82' ' ' LEU . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.78 0.12 86.99 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -119.0 -38.87 3.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -96.63 -55.35 2.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.54 -30.78 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.45 -30.76 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.45 73.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -71.82 -22.69 61.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.79 147.56 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 m -164.19 158.16 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.45 149.21 20.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.37 15.47 2.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.794 2.33 . . . . 0.0 112.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.76 62.64 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.29 -51.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.494 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -138.3 31.22 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.96 31.23 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 28.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -144.05 31.64 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 172.97 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.15 -169.27 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.9 169.99 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -107.48 -26.3 11.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -51.45 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.67 33.05 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.61 -31.12 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.7 46.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.1 23.25 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . 143.9 -28.69 1.99 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.19 154.09 61.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD13 ' HG2' ' A' ' 21' ' ' PRO . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' SG ' ' A' ' 48' ' ' CYS . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 42' ' ' THR . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 32' ' ' LEU . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.821 HD22 ' CB ' ' A' ' 59' ' ' GLU . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.821 ' CB ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 72' ' ' LYS . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 15' ' ' GLY . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 94' ' ' LEU . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.484 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 82' ' ' LEU . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.03 -0.24 85.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -118.15 -37.37 3.38 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -99.37 -56.34 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -22.58 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.175 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.1 mmt -78.22 -28.33 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.06 -46.66 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 57.6 31.51 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.4 mt 61.07 89.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.83 148.42 6.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 105.18 1.7 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.6 t -87.09 138.22 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 117.86 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HD2' HG13 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HG2' HD13 ' A' ' 27' ' ' LEU . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 47' ' ' LEU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 39' ' ' VAL . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 12.7 mm-40 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.456 ' HE2' HD13 ' A' ' 55' ' ' LEU . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 72' ' ' LYS . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 89' ' ' GLU . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.642 ' HG2' HD13 ' A' ' 85' ' ' LEU . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 16' ' ' ARG . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.763 ' HG2' HD13 ' A' ' 27' ' ' LEU . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 ' HG2' ' A' ' 21' ' ' PRO . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.606 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 39' ' ' VAL . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.721 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' VAL . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 72' ' ' LYS . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 89' ' ' GLU . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.512 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.647 ' NH2' HG22 ' A' ' 93' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD21 ' CD ' ' A' ' 66' ' ' LYS . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.464 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.546 ' HB2' HG12 ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' THR . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 HG11 ' A' ' 39' ' ' VAL . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 12.1 mm-40 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.877 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.877 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.464 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.602 ' CD ' HD21 ' A' ' 27' ' ' LEU . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.775 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.775 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.647 HG22 ' NH2' ' A' ' 16' ' ' ARG . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 82' ' ' LEU . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.796 ' HG2' HD13 ' A' ' 27' ' ' LEU . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 36' ' ' MET . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD13 ' A' ' 47' ' ' LEU . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB2' HG12 ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 42' ' ' THR . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD12 HG11 ' A' ' 39' ' ' VAL . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 59' ' ' GLU . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.93 ' HB3' HD22 ' A' ' 55' ' ' LEU . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.733 ' HD2' HD21 ' A' ' 27' ' ' LEU . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 85' ' ' LEU . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 ' OE2' ' A' ' 89' ' ' GLU . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.423 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HD11 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD23 ' SG ' ' A' ' 48' ' ' CYS . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.663 ' HE3' HD13 ' A' ' 47' ' ' LEU . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' HB2' HG12 ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' HE3' ' A' ' 36' ' ' MET . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD23 ' A' ' 32' ' ' LEU . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 72' ' ' LYS . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CE2' HD11 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.626 HD21 ' HB ' ' A' ' 93' ' ' VAL . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.626 ' HB ' HD21 ' A' ' 82' ' ' LEU . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 82' ' ' LEU . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.622 ' NH1' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.836 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 21' ' ' PRO . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HB2' HG12 ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 39' ' ' VAL . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 72' ' ' LYS . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.622 HG13 ' NH1' ' A' ' 16' ' ' ARG . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 82' ' ' LEU . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HD2' HG13 ' A' ' 93' ' ' VAL . 1.6 mpp_? . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.891 ' HG3' HD13 ' A' ' 27' ' ' LEU . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 ' HG3' ' A' ' 21' ' ' PRO . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 36' ' ' MET . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.408 ' CE ' HD11 ' A' ' 32' ' ' LEU . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.771 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HB2' HG12 ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 42' ' ' THR . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB3' HD21 ' A' ' 32' ' ' LEU . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 59' ' ' GLU . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.813 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CD2' ' HG ' ' A' ' 24' ' ' SER . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.702 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.813 HD13 HD21 ' A' ' 94' ' ' LEU . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 89' ' ' GLU . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' OE1' HD22 ' A' ' 85' ' ' LEU . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.595 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.813 HD21 HD13 ' A' ' 82' ' ' LEU . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.557 HD21 ' CG ' ' A' ' 66' ' ' LYS . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 48' ' ' CYS . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.402 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 42' ' ' THR . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 32' ' ' LEU . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 13.5 mm-40 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.592 ' HA ' HD12 ' A' ' 55' ' ' LEU . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.557 ' CG ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 85' ' ' LEU . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 94' ' ' LEU . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.604 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 82' ' ' LEU . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 21' ' ' PRO . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' O ' HD12 ' A' ' 55' ' ' LEU . 12.5 mm-40 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.719 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HD11 ' A' ' 85' ' ' LEU . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.624 HD21 ' HB ' ' A' ' 93' ' ' VAL . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 81' ' ' PHE . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.592 HH21 HG22 ' A' ' 93' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG3' HD13 ' A' ' 27' ' ' LEU . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 21' ' ' PRO . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.526 ' CE ' HD11 ' A' ' 32' ' ' LEU . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG11 HD12 ' A' ' 47' ' ' LEU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HG12 ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 42' ' ' THR . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD12 HG11 ' A' ' 39' ' ' VAL . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.782 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' CG ' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 82' ' ' LEU . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 85' ' ' LEU . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 93' ' ' VAL . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.739 HD13 ' HG2' ' A' ' 89' ' ' GLU . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.739 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 27' ' ' LEU . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 66' ' ' LYS . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE2' HD11 ' A' ' 55' ' ' LEU . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 ' SG ' ' A' ' 48' ' ' CYS . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 43' ' ' GLU . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.728 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.59 ' CB ' HG12 ' A' ' 39' ' ' VAL . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' THR . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' HG11 ' A' ' 39' ' ' VAL . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 72' ' ' LYS . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 76' ' ' VAL . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.75 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.709 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 82' ' ' LEU . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 27' ' ' LEU . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 66' ' ' LYS . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 48' ' ' CYS . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE3' HD11 ' A' ' 32' ' ' LEU . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' HG12 ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.789 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.699 HD13 HD21 ' A' ' 94' ' ' LEU . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.64 HD13 ' HG2' ' A' ' 89' ' ' GLU . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.64 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.699 HD21 HD13 ' A' ' 82' ' ' LEU . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD13 ' HG2' ' A' ' 21' ' ' PRO . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 48' ' ' CYS . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.405 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' HG12 ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 HD21 ' A' ' 94' ' ' LEU . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 89' ' ' GLU . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.557 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 82' ' ' LEU . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 27' ' ' LEU . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.707 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD11 ' CE ' ' A' ' 36' ' ' MET . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.554 ' CE ' HD11 ' A' ' 32' ' ' LEU . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB2' HG12 ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 47' ' ' LEU . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' LYS . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' HD21 ' A' ' 82' ' ' LEU . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' HD22 ' A' ' 82' ' ' LEU . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.754 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.584 ' CE ' HD11 ' A' ' 32' ' ' LEU . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.592 ' HB2' HG12 ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 42' ' ' THR . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 59' ' ' GLU . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.647 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' HE2' HD13 ' A' ' 55' ' ' LEU . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' CD ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.854 HD11 ' CE1' ' A' ' 81' ' ' PHE . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.532 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.74 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HB2' HG12 ' A' ' 39' ' ' VAL . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 HD12 HG11 ' A' ' 39' ' ' VAL . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' HE2' HD13 ' A' ' 55' ' ' LEU . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HD2' HD21 ' A' ' 27' ' ' LEU . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 HD21 ' A' ' 94' ' ' LEU . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD13 ' HG2' ' A' ' 89' ' ' GLU . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.713 ' HG2' HD13 ' A' ' 85' ' ' LEU . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 82' ' ' LEU . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 82' ' ' LEU . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HG2' HD13 ' A' ' 27' ' ' LEU . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.814 HD13 ' HG2' ' A' ' 21' ' ' PRO . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.835 ' CE2' HD11 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HD13 ' A' ' 47' ' ' LEU . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 47' ' ' LEU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 42' ' ' THR . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 52' ' ' TRP . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.842 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.666 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.494 ' HG ' HD22 ' A' ' 82' ' ' LEU . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' NE ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HG2' ' A' ' 21' ' ' PRO . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 42' ' ' THR . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.87 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 94' ' ' LEU . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.641 ' HG2' HD13 ' A' ' 85' ' ' LEU . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.78 HD21 HD13 ' A' ' 82' ' ' LEU . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 9.6 mpt_? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 27' ' ' LEU . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 21' ' ' PRO . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' SG ' ' A' ' 48' ' ' CYS . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 14.4 mm-40 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.819 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' CG ' HD21 ' A' ' 27' ' ' LEU . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 72' ' ' LYS . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' A' ' 82' ' ' LEU . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD13 ' HG2' ' A' ' 21' ' ' PRO . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' SG ' ' A' ' 48' ' ' CYS . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 42' ' ' THR . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 32' ' ' LEU . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.821 HD22 ' CB ' ' A' ' 59' ' ' GLU . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.821 ' CB ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 72' ' ' LYS . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 94' ' ' LEU . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 82' ' ' LEU . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.23 98.63 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -99.29 32.39 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.08 81.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -65.75 -47.48 75.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.48 163.06 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.96 -167.94 12.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -131.55 178.67 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 mt -128.16 25.93 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -114.61 -42.22 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.48 52.61 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -30.11 8.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.61 45.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.62 -48.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.36 -35.67 16.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HD2' HG13 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -132.08 154.71 81.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 36.7 Cg_endo -66.73 -174.35 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.491 2.127 . . . . 0.0 112.195 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 106.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 116.96 39.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 81.9 Cg_endo -77.62 142.65 20.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.475 2.117 . . . . 0.0 112.399 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HG2' HD13 ' A' ' 27' ' ' LEU . 33.5 Cg_exo -57.57 168.28 3.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.446 2.097 . . . . 0.0 112.208 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.2 -45.42 2.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -172.79 4.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.9 p -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -56.11 -57.11 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.8 tp -62.05 -50.41 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -59.08 -33.03 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.764 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.07 -30.61 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.042 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.97 -43.62 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.59 -49.2 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 35.4 mtp -55.34 -35.45 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.05 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -89.78 -29.66 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 mmt -79.54 59.14 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -32.38 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.95 43.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG11 HD12 ' A' ' 47' ' ' LEU . 15.1 t -151.21 132.57 7.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.81 147.87 69.89 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.391 2.061 . . . . 0.0 112.141 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -46.72 -28.98 1.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.42 -38.48 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 39' ' ' VAL . 21.7 mt-10 -80.65 -35.08 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -61.45 -56.96 14.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ttp -53.26 -41.03 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -71.71 -33.66 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.659 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 HG11 ' A' ' 39' ' ' VAL . 11.1 mt -67.55 -43.45 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 m -53.48 -31.04 44.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -75.01 -49.78 18.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 12.7 mm-40 -58.66 -30.63 67.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -79.75 -28.36 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.53 -29.05 46.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -85.52 -28.99 24.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.077 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.6 mt -57.1 139.94 50.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 171.24 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -43.46 93.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 2.8 pttp -61.71 -31.84 72.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.3 mp0 -76.76 -44.79 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -65.58 -31.41 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -34.97 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.9 97.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' HE2' HD13 ' A' ' 55' ' ' LEU . 52.2 m-85 -68.72 -30.94 69.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -59.99 -37.71 80.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.85 -41.77 97.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.43 -44.82 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.27 -51.34 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.455 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -37.0 85.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -61.29 -32.77 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.79 -38.88 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.7 tttp -61.1 -46.71 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.429 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -59.71 -41.38 90.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.504 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.0 -49.14 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.712 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 72' ' ' LYS . 23.2 t -64.24 -52.11 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -59.48 -31.28 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.8 tp -79.94 -34.13 39.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.79 -52.75 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -32.16 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -76.2 -47.26 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 16.0 mt -56.11 -60.13 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -32.47 26.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 0.0 110.67 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -32.47 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 89' ' ' GLU . 1.9 mt -89.61 156.94 47.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.724 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 38.0 Cg_endo -66.38 177.56 3.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.584 2.189 . . . . 0.0 112.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.4 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -48.86 71.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.642 ' HG2' HD13 ' A' ' 85' ' ' LEU . 2.8 tt0 -65.24 -49.1 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.93 -32.3 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -60.91 -50.48 73.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 16' ' ' ARG . 24.5 t -64.34 -42.41 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 31.2 mt -70.98 -32.78 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.52 85.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -119.01 -39.78 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -95.58 -52.66 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -34.6 70.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.98 82.03 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -96.3 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 mt 63.27 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.55 164.59 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.24 -143.53 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.432 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.47 -43.4 44.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.498 2.132 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.62 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 m -64.39 -31.93 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -86.75 -58.71 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -173.04 90.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 104.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.62 -176.98 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 176.15 6.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 96.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.339 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mt -116.11 25.34 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -39.76 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 61.85 30.35 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -90.05 -25.27 20.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.12 30.34 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -57.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.31 -31.18 79.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.381 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -118.64 158.48 47.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.803 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.4 Cg_endo -68.57 -175.96 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.511 2.14 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -58.92 107.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.12 115.59 33.35 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 72.0 Cg_endo -76.72 139.87 20.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.368 2.046 . . . . 0.0 112.439 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.763 ' HG2' HD13 ' A' ' 27' ' ' LEU . 32.5 Cg_exo -57.73 168.1 3.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.396 2.064 . . . . 0.0 112.21 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 -42.76 3.85 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.65 -172.88 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -67.26 -36.0 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.072 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.58 -51.18 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -69.63 -33.48 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 ' HG2' ' A' ' 21' ' ' PRO . 63.9 tp -68.29 -45.45 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.805 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 55' ' ' LEU . 53.0 t80 -65.43 -36.39 83.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -47.24 84.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -31.15 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.84 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.61 -45.9 67.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.5 mtp -53.14 -42.5 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.66 68.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.93 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -87.88 -31.85 19.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.9 mmt -78.33 59.8 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.23 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.41 45.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.7 t -150.11 129.57 6.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.19 146.46 86.64 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.38 2.054 . . . . 0.0 112.158 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.46 -30.03 1.28 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.314 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -69.11 -42.26 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.426 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.606 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.8 mt-10 -77.21 -33.44 56.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.696 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.82 -57.53 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttm -54.28 -42.29 69.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.95 -31.67 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 39' ' ' VAL . 3.9 mt -69.82 -42.9 73.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.87 -29.18 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.005 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -41.65 46.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.97 -52.37 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.03 -32.39 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -77.95 -27.39 49.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -31.72 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -82.88 -28.71 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.5 mt -58.13 136.4 57.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -79.01 173.42 12.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.16 -42.46 94.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -59.97 -37.06 78.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -72.49 -49.39 33.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -59.58 -35.43 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.22 -34.13 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.46 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.96 -31.09 64.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -60.85 -34.14 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -74.83 -36.35 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.578 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.721 ' HD2' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.31 -46.04 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.64 -48.47 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.9 -41.68 98.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -60.7 -35.96 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -63.44 -38.47 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.497 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' VAL . 50.7 tttt -61.18 -45.5 94.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.58 -37.54 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.476 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 78.8 t80 -59.92 -42.96 95.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.21 -45.23 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 72' ' ' LYS . 33.4 t -66.1 -50.27 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.7 mm-40 -62.41 -32.35 73.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -77.55 -37.17 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.15 -52.14 51.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -34.33 72.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.5 t80 -76.2 -40.98 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.651 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -59.7 -59.78 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.02 -32.44 21.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -31.79 72.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 89' ' ' GLU . 5.6 mt -92.08 156.88 41.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.708 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.33 176.69 2.5 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.587 2.191 . . . . 0.0 112.364 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.29 -47.94 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.47 -51.35 67.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.7 tt0 -61.7 -47.53 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -32.49 68.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -39.02 82.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -67.85 -48.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.67 -40.83 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.512 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.0 mt -72.36 -37.71 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.98 -2.78 83.31 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.819 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.29 -35.24 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.771 0.286 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -101.89 -54.64 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.53 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.71 63.36 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.81 31.38 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.5 mm 64.52 104.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -125.8 -176.72 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.82 -89.18 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -72.17 -45.27 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.1 m -154.26 107.08 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -92.66 -48.48 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.3 -46.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -161.32 10.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -132.85 42.0 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -139.36 111.47 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.85 8.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -133.46 -46.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 62.65 25.86 15.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -108.62 -36.88 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.87 32.95 20.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -92.58 -30.27 15.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -120.87 30.29 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.37 24.67 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 37.05 3.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' NH2' HG22 ' A' ' 93' ' ' VAL . 0.3 OUTLIER -144.79 154.2 55.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.685 0.279 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 42.7 Cg_endo -69.1 -167.67 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -72.88 116.5 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 114.87 36.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 66.4 Cg_endo -73.81 167.6 26.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.397 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.24 166.71 28.35 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.57 2.18 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.48 -42.79 4.78 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -159.74 -172.04 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -67.53 -35.49 79.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.41 -56.57 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.986 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -62.38 -37.36 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.602 HD21 ' CD ' ' A' ' 66' ' ' LYS . 33.8 tp -62.37 -52.47 63.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 46.7 t80 -58.88 -35.48 73.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.774 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -56.35 -47.55 78.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.03 65.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.53 -44.92 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.19 -48.55 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.8 mtt -55.94 -35.95 67.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.68 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -88.38 -29.75 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mmt -79.84 59.08 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -34.44 77.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.017 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.55 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.0 t -150.29 131.18 7.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.22 147.52 78.85 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.378 2.052 . . . . 0.0 112.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -46.4 -28.99 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -40.04 70.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.546 ' HB2' HG12 ' A' ' 39' ' ' VAL . 3.0 mt-10 -79.13 -33.92 43.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.87 -57.6 10.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -42.54 66.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.971 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' THR . 46.0 t -69.72 -33.01 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 HG11 ' A' ' 39' ' ' VAL . 4.7 mt -69.16 -43.35 74.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.7 -30.05 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -73.68 -44.27 57.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -70.66 -51.23 29.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 12.1 mm-40 -56.43 -30.84 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -80.92 -28.18 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -78.82 -28.11 44.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.5 pp -86.27 -30.4 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.065 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.0 mt -58.66 145.74 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 178.26 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.09 -43.52 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -58.65 -33.95 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.877 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -80.64 -45.41 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -63.85 -32.74 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.04 -35.74 81.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.87 78.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.464 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 68.8 m-85 -76.81 -31.18 56.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.21 -38.72 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -63.72 -40.91 97.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.602 ' CD ' HD21 ' A' ' 27' ' ' LEU . 13.9 ttmm -60.98 -45.56 94.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.91 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.537 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -65.07 -35.82 82.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -62.89 -45.15 93.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.548 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -32.68 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -69.9 -39.86 75.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.506 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.802 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.8 ttmm -60.16 -40.52 90.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.47 -37.38 60.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 48.2 t80 -59.84 -40.55 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.64 -42.55 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.3 t -68.43 -47.12 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 8.1 mm-40 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.724 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.67 -36.0 57.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.2 -50.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -34.99 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.732 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 -46.88 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.3 mt -53.97 -60.54 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.38 -32.82 27.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -33.99 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.4 mt -89.58 156.77 47.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.5 Cg_endo -64.59 176.72 2.63 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.485 2.124 . . . . 0.0 112.406 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.91 -49.19 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.65 -51.03 66.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.775 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.4 tt0 -62.0 -47.39 85.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.56 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.0 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -38.05 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -63.52 -49.79 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.647 HG22 ' NH2' ' A' ' 16' ' ' ARG . 36.1 t -69.86 -49.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.735 HD22 ' HD2' ' A' ' 98' ' ' LYS . 66.3 mt -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.54 86.78 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.795 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.62 -35.67 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.43 -54.45 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.233 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.735 ' HD2' HD22 ' A' ' 94' ' ' LEU . 4.9 tttt -56.3 -33.15 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.3 mmt -66.96 -30.46 70.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.63 62.99 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -99.2 30.01 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 tt -106.97 41.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.028 0.442 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.5 m -136.93 91.84 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.49 170.72 18.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -167.98 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -123.28 118.51 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -140.07 171.11 14.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.504 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -126.34 90.64 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -139.54 -47.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 102.34 0.59 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -100.18 32.07 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -168.73 -44.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 109.15 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -112.21 138.98 48.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.68 25.12 8.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -107.25 -40.66 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.01 35.87 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -98.87 35.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -177.03 39.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 -59.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.93 -53.68 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 156.06 45.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.691 0.282 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 30.9 Cg_endo -64.82 -178.41 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.499 2.132 . . . . 0.0 112.179 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -58.12 103.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -61.51 122.2 69.15 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 90.8 Cg_endo -79.67 133.46 10.41 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.613 2.208 . . . . 0.0 112.419 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.796 ' HG2' HD13 ' A' ' 27' ' ' LEU . 45.7 Cg_exo -56.15 165.25 4.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.362 2.041 . . . . 0.0 112.163 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.7 -42.16 7.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.608 2.205 . . . . 0.0 112.219 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.52 174.26 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -58.03 -32.41 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.32 -41.94 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 t -82.95 -38.32 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.3 tp -61.31 -39.97 92.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.654 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 46.3 t80 -70.56 -35.41 73.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.58 -46.85 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.4 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.72 -45.04 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 36' ' ' MET . 34.6 tp -66.76 -47.76 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.8 mtp -55.16 -40.98 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -29.92 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -89.31 -31.05 18.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD13 ' A' ' 47' ' ' LEU . 14.6 mmt -78.69 58.88 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -61.45 -33.59 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.95 44.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.28 132.59 7.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.61 146.73 68.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.359 2.039 . . . . 0.0 112.054 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.55 -29.86 1.3 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.424 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.73 -40.06 69.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.377 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB2' HG12 ' A' ' 39' ' ' VAL . 33.2 mt-10 -78.56 -34.66 46.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.466 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.5 mtt180 -61.22 -57.41 12.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 ttt -54.0 -41.9 68.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.783 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 42' ' ' THR . 47.9 t -69.94 -34.63 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD12 HG11 ' A' ' 39' ' ' VAL . 11.8 mt -67.13 -44.8 78.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.706 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.57 -30.61 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -42.14 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.673 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -73.16 -50.48 22.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.35 -34.15 68.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -76.92 -27.22 54.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.44 -29.65 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -86.56 -28.75 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 59' ' ' GLU . 15.0 mt -58.34 141.77 50.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 173.2 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -61.07 -31.98 71.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.93 ' HB3' HD22 ' A' ' 55' ' ' LEU . 2.9 mp0 -81.31 -44.82 17.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -63.05 -31.69 72.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.798 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.83 -33.85 76.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.1 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -87.72 -30.59 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -59.79 -37.78 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -70.31 -39.01 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.733 ' HD2' HD21 ' A' ' 27' ' ' LEU . 18.5 ttmm -62.16 -44.62 96.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.65 -50.97 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -34.88 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -62.57 -41.73 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -59.85 -36.83 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.7 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -65.97 -40.31 91.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 tttp -64.59 -35.73 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -40.07 46.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.56 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 80.6 t80 -59.13 -40.08 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.415 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.28 -47.39 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.592 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.4 t -68.26 -50.29 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.9 mm-40 -59.89 -31.71 70.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.07 -36.07 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.586 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.47 -52.67 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -31.6 69.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 85' ' ' LEU . 40.5 t80 -77.24 -43.99 31.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.4 mt -58.08 -58.65 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.32 -32.41 25.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -34.11 77.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 ' OE2' ' A' ' 89' ' ' GLU . 2.1 mt -85.81 156.0 58.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -64.13 174.49 4.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.516 2.144 . . . . 0.0 112.385 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.58 -45.06 89.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.25 -52.58 64.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.732 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.23 -48.44 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.98 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -38.75 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -68.95 -51.93 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.423 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.7 t -63.46 -42.58 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.489 ' HG ' HD22 ' A' ' 82' ' ' LEU . 55.2 mt -69.19 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.65 -0.08 88.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.807 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.97 -40.42 2.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -92.39 -58.64 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.44 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.69 -30.11 59.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.5 81.38 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.59 49.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 102' ' ' ILE . 21.9 mm 62.46 28.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 94.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.73 161.66 12.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.92 138.9 38.37 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.56 2.173 . . . . 0.0 112.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.46 81.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t 60.85 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.02 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -164.71 104.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.24 -28.12 12.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -131.45 44.93 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -150.9 -46.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.82 -148.48 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.91 166.92 21.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.14 25.89 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -104.98 -34.74 7.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.44 30.32 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -107.97 31.42 5.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -162.97 31.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.67 -30.17 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.68 -38.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.64 150.39 76.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.329 . . . . 0.0 111.01 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.2 Cg_endo -68.13 -167.64 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.628 2.219 . . . . 0.0 112.305 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 105.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -67.61 112.07 9.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.4 Cg_endo -79.81 162.75 23.86 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.558 2.172 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.67 165.25 20.38 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.738 2.292 . . . . 0.0 112.372 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -47.45 3.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.622 2.215 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.08 -173.72 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -65.31 -37.4 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.08 -41.12 67.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.31 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.0 tp -63.5 -43.97 95.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.752 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HD11 ' A' ' 55' ' ' LEU . 79.1 t80 -62.17 -41.43 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.59 -48.31 79.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.3 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.7 -46.53 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD23 ' SG ' ' A' ' 48' ' ' CYS . 37.3 tp -65.83 -51.72 56.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.711 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.19 -36.39 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.53 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.66 -27.84 25.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.663 ' HE3' HD13 ' A' ' 47' ' ' LEU . 55.5 mmm -85.29 52.08 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.78 -29.59 69.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.37 35.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.3 t -143.4 130.8 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.775 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.6 145.89 95.3 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.429 2.086 . . . . 0.0 112.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -29.8 2.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -70.55 -39.66 73.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' HB2' HG12 ' A' ' 39' ' ' VAL . 25.6 mt-10 -79.09 -31.08 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.654 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -57.06 8.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 ttp -54.95 -41.9 71.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 57.4 t -68.81 -33.56 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.703 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' HE3' ' A' ' 36' ' ' MET . 3.1 mt -68.57 -46.28 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD23 ' A' ' 32' ' ' LEU . 31.1 m -54.25 -28.79 43.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.11 -45.81 38.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.99 -51.17 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.84 -33.91 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.956 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -76.43 -27.99 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -27.91 42.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.4 pp -89.86 -26.66 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.246 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -56.03 134.05 52.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 m -76.15 172.63 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -42.48 93.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -59.89 -32.48 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.39 -50.19 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -60.56 -35.01 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.752 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.17 -36.53 82.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.0 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -65.24 -29.29 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -63.61 -34.23 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.663 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -75.09 -32.08 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.2 ttmm -66.71 -42.75 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.611 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.29 -47.98 83.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.4 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.42 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -65.75 -42.7 90.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.474 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.11 -38.57 86.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -65.8 -37.65 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.8 ttmt -61.2 -41.46 96.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.391 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -74.43 -37.33 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 73.8 t80 -59.39 -45.0 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.18 -46.81 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.632 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 72' ' ' LYS . 34.9 t -64.7 -56.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.21 -30.44 49.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' PRO . 7.7 tp -78.53 -32.67 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.55 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.73 -53.88 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -33.87 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CE2' HD11 ' A' ' 85' ' ' LEU . 63.5 t80 -75.77 -45.31 36.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.55 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.626 HD21 ' HB ' ' A' ' 93' ' ' VAL . 19.4 mt -56.7 -58.3 8.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.22 -32.0 22.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.71 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.612 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -88.91 156.47 49.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.74 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 35.9 Cg_endo -65.38 175.7 3.93 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.38 -47.02 85.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.71 -52.58 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 4.0 tt0 -61.63 -47.79 83.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.629 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -32.57 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.24 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -49.85 65.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.626 ' HB ' HD21 ' A' ' 82' ' ' LEU . 30.0 t -71.95 -43.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 82' ' ' LEU . 84.2 mt -68.7 -35.24 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.28 -4.62 79.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.861 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -117.39 -40.17 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.54 -53.65 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -58.87 -31.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 13.6 mmt -73.22 -24.69 60.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.3 mt -106.65 54.08 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.18 33.59 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 tt -104.57 131.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.26 34.25 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.71 -91.93 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 76.96 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.557 2.171 . . . . 0.0 112.291 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.55 138.89 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t 60.33 102.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.465 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.16 -54.73 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -125.27 152.28 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.31 -62.75 1.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.393 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.47 -46.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.374 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.15 -47.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 123.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.97 -41.17 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt 57.68 23.84 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -113.53 -27.9 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.94 40.13 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -98.05 30.49 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -155.89 30.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -157.9 -53.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 -28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.622 ' NH1' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -135.29 158.36 74.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.4 Cg_endo -68.96 -169.23 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.581 2.187 . . . . 0.0 112.136 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 109.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -67.45 112.36 9.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.1 Cg_endo -77.91 139.67 17.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.5 2.133 . . . . 0.0 112.455 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.836 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.6 Cg_exo -57.12 168.46 2.61 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.467 2.111 . . . . 0.0 112.185 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.29 -42.51 2.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.547 2.165 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -161.04 -176.58 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -64.3 -36.93 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.94 -58.67 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -38.06 89.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.815 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 21' ' ' PRO . 61.2 tp -60.37 -52.7 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.744 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 52.3 t80 -58.84 -36.99 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.63 -47.25 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.62 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.95 -43.19 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.96 -48.79 67.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 7.6 mtp -56.52 -36.74 69.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.12 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.99 -32.71 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.3 mmt -77.07 60.25 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -64.25 -32.66 74.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -94.85 42.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.772 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 43' ' ' GLU . 5.1 t -151.07 130.26 6.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.55 147.42 86.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.484 2.123 . . . . 0.0 112.24 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -29.42 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HB2' HG12 ' A' ' 39' ' ' VAL . 9.8 mt-10 -79.61 -32.8 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.525 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.36 -57.59 9.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.2 ttm -53.47 -41.51 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 42' ' ' THR . 44.4 t -70.87 -32.73 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 39' ' ' VAL . 8.8 mt -69.27 -43.12 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.18 -29.29 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.9 t -76.35 -41.86 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.12 -52.45 16.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -56.96 -34.23 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.3 t-105 -75.16 -27.72 59.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -79.29 -27.76 42.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.7 pp -90.27 -26.65 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.174 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.7 mt -56.43 137.55 52.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -77.71 174.44 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.976 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -61.61 -44.3 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -59.9 -37.53 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -70.37 -48.53 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -62.32 -33.98 75.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -37.73 88.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.37 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -72.24 -30.47 64.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -62.73 -37.92 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -62.94 -41.39 99.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.5 ttmm -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.8 t -61.0 -52.75 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.49 -36.75 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -61.09 -43.27 99.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.554 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -60.73 -35.42 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -68.88 -38.52 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.77 -39.87 93.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.428 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.51 -33.92 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 81.8 t80 -60.38 -45.28 94.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.79 -44.51 89.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 72' ' ' LYS . 26.7 t -67.19 -51.68 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -60.95 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.694 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.08 -38.62 56.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.83 -52.72 33.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -34.32 73.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 85' ' ' LEU . 54.4 t80 -74.16 -45.66 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.6 mt -57.04 -60.71 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -32.52 26.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.13 77.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.2 mt -87.05 157.56 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.4 Cg_endo -66.25 176.88 3.55 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.522 2.148 . . . . 0.0 112.329 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.64 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.54 -49.08 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -65.31 -49.49 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -35.57 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.3 97.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -65.24 -54.22 32.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.622 HG13 ' NH1' ' A' ' 16' ' ' ARG . 25.5 t -60.11 -39.59 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 82' ' ' LEU . 72.0 mt -76.36 -32.72 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.0 -4.17 88.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -117.91 -38.46 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.54 -55.85 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -29.22 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 37.2 mmt -69.45 -29.87 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.45 65.27 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -101.89 42.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' ILE . 22.9 mt 66.65 31.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.0 p -120.25 127.17 52.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.36 -173.04 34.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 63.07 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 m -111.3 101.31 9.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -127.15 31.88 5.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.416 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p 58.59 175.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -123.6 149.04 45.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 58.74 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -158.63 117.26 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.8 158.71 23.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -132.83 160.56 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mt -108.08 24.78 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -32.54 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.41 48.34 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -88.06 -40.07 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.63 64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -117.17 -9.32 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.86 27.23 5.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HD2' HG13 ' A' ' 93' ' ' VAL . 1.6 mpp_? -132.31 156.5 80.03 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.697 0.284 . . . . 0.0 110.942 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.15 -167.06 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.211 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 m -68.59 108.42 3.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 120.01 60.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 91.7 Cg_endo -78.27 168.6 21.44 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.613 2.209 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.891 ' HG3' HD13 ' A' ' 27' ' ' LEU . 86.8 Cg_endo -78.84 164.24 25.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.07 -41.37 2.69 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -158.21 -176.71 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 37.0 p -63.92 -40.66 97.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -53.42 -61.88 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -35.41 74.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 ' HG3' ' A' ' 21' ' ' PRO . 62.0 tp -60.37 -54.54 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.82 -34.01 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.658 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -46.3 88.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.515 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.35 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.1 -46.82 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 36' ' ' MET . 20.8 tp -66.61 -48.22 70.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 mtt -54.65 -36.2 64.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.658 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.0 79.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -83.61 -28.99 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.408 ' CE ' HD11 ' A' ' 32' ' ' LEU . 22.6 mmt -83.28 56.07 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.05 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.013 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.04 43.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 43' ' ' GLU . 9.6 t -148.67 131.39 7.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.92 147.21 80.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.447 2.098 . . . . 0.0 112.137 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -46.66 -29.47 1.88 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.771 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 p -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.452 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HB2' HG12 ' A' ' 39' ' ' VAL . 37.1 mt-10 -80.12 -33.97 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -56.01 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.424 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.3 ttm -54.47 -40.97 68.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 42' ' ' THR . 60.2 t -70.44 -33.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB3' HD21 ' A' ' 32' ' ' LEU . 3.5 mt -68.58 -45.15 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 m -54.84 -30.18 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 m -70.89 -45.44 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.07 -51.01 43.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -57.3 -31.92 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.6 t-105 -80.95 -27.89 35.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -77.56 -28.09 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.07 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -87.58 -27.71 22.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 59' ' ' GLU . 13.3 mt -58.99 139.83 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.71 176.78 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -62.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -33.36 71.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.794 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.813 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.39 -49.43 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.75 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.36 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.74 92.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -70.36 -29.96 66.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.75 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CD2' ' HG ' ' A' ' 24' ' ' SER . 16.0 m80 -61.72 -38.48 88.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -67.56 -35.82 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 12.6 ttmm -63.97 -43.61 95.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.79 -49.75 76.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -63.3 -36.45 83.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.317 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -63.46 -43.77 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -61.1 -32.82 72.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -74.84 -40.11 61.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.702 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 tmtt? -61.86 -34.52 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.235 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -36.77 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.0 t80 -60.06 -43.99 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.383 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -45.75 89.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.1 t -66.71 -50.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.38 -30.22 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.62 -36.82 57.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.09 -50.44 40.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.83 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.39 -43.71 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.663 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.813 HD13 HD21 ' A' ' 94' ' ' LEU . 17.6 mt -55.52 -59.36 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.03 -32.29 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.594 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -34.45 77.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.634 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 89' ' ' GLU . 3.3 mt -86.0 156.59 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.667 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 31.7 Cg_endo -63.95 175.17 3.26 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.535 2.157 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.66 -45.92 90.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -49.37 75.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' OE1' HD22 ' A' ' 85' ' ' LEU . 4.3 tt0 -64.17 -47.64 79.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -32.92 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.828 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -34.04 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -67.25 -50.23 61.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.595 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -71.23 -43.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.813 HD21 HD13 ' A' ' 82' ' ' LEU . 72.7 mt -70.01 -32.35 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.27 84.03 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.849 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.8 -38.33 3.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 -52.59 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.054 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -28.65 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.59 -29.86 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.8 mt -82.45 -44.81 15.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.88 30.81 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.2 tp -152.64 140.2 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -60.12 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.0 49.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.42 173.98 8.95 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 112.307 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.55 -51.95 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.7 p -173.91 122.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.519 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -87.02 104.17 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -109.69 112.41 24.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.99 -156.08 24.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -79.55 -36.36 38.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 60.29 62.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.13 165.31 38.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.65 146.31 24.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.62 25.34 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.83 -28.09 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.77 46.62 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 30.42 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -167.31 32.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 -68.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.83 -27.71 64.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.92 160.82 63.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.09 -168.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.545 2.163 . . . . 0.0 112.3 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.25 105.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -68.33 120.47 75.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.0 Cg_endo -78.87 158.81 27.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.479 2.12 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.2 Cg_endo -75.26 170.02 21.23 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.591 2.194 . . . . 0.0 112.324 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.78 -42.5 8.74 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.516 2.144 . . . . 0.0 112.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -160.03 -176.45 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -62.65 -36.84 84.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 2.0 t80 -53.22 -58.86 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD21 ' CG ' ' A' ' 66' ' ' LYS . 35.6 tp -59.91 -50.47 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CE1' ' CZ ' ' A' ' 63' ' ' TYR . 59.7 t80 -59.19 -34.1 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.99 -47.11 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.87 68.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.33 -47.19 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.7 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 48' ' ' CYS . 28.2 tp -64.78 -48.75 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.402 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 19.5 mtp -56.36 -36.49 68.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 -31.2 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -89.17 -31.14 18.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mmt -78.95 59.82 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -95.33 42.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 43' ' ' GLU . 14.5 t -150.24 132.64 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.56 147.03 75.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.408 2.072 . . . . 0.0 112.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -46.22 -29.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.276 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.9 -39.17 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.461 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.7 mt-10 -79.42 -32.78 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.3 OUTLIER -63.72 -57.4 10.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.458 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ttp -54.29 -41.71 69.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 42' ' ' THR . 56.7 t -68.97 -33.9 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.697 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -68.8 -44.94 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.693 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.426 ' SG ' HD23 ' A' ' 32' ' ' LEU . 32.3 m -54.27 -29.83 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -72.78 -45.83 56.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.92 -50.83 30.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 13.5 mm-40 -56.28 -31.66 63.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.592 ' HA ' HD12 ' A' ' 55' ' ' LEU . 73.4 t-105 -80.03 -28.33 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -78.62 -24.46 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -92.11 -27.58 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.7 mt -56.41 139.42 48.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -82.39 176.03 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -61.33 -44.73 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.59 -31.78 68.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.0 -48.3 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.728 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -61.24 -30.09 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -38.04 87.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.72 93.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' CE1' ' A' ' 28' ' ' TYR . 39.7 m-85 -69.86 -31.23 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.808 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -62.41 -40.07 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -66.77 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.669 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.557 ' CG ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -70.06 -43.96 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.6 t -60.54 -50.18 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.65 -41.83 98.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.56 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -66.75 -42.06 86.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.5 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 tttt -60.52 -43.02 97.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.93 -39.49 79.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 83.3 t80 -60.3 -45.3 93.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.43 -44.69 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.625 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.0 t -66.64 -53.75 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.3 mm-40 -58.84 -30.89 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.632 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.63 -34.04 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.53 -53.07 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.46 69.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 85' ' ' LEU . 52.6 t80 -77.16 -43.46 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 94' ' ' LEU . 19.6 mt -58.81 -59.22 5.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.04 -32.31 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.974 0.416 . . . . 0.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -33.51 75.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.5 mt -87.85 156.87 52.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.7 Cg_endo -64.92 175.44 3.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.45 -44.78 92.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.32 -50.86 71.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.8 tt0 -63.31 -48.34 78.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.41 70.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.748 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -35.75 81.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.03 -52.43 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.604 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.78 -47.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 82' ' ' LEU . 21.2 mt -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.16 0.09 88.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.826 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -119.69 -37.22 3.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.737 0.269 . . . . 0.0 111.11 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.49 -60.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.034 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' A' ' 94' ' ' LEU . 3.4 tttm -55.27 -26.87 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmt -70.25 -29.85 66.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.2 mt -78.4 71.81 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -98.5 30.65 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 pt -127.0 142.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.66 101.71 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.44 67.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.55 -28.31 26.43 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.618 2.212 . . . . 0.0 112.283 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 p -151.14 140.16 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -98.39 34.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.456 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -76.73 92.73 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -107.51 36.68 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -110.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 p -69.08 178.2 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.49 -70.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.35 81.71 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -147.51 172.37 14.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.37 24.99 8.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -115.81 -32.39 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.991 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 46.83 5.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.81 30.67 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.69 30.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.24 10.36 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.381 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.3 -8.61 70.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.876 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.41 157.78 38.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 39.1 Cg_endo -68.14 -172.7 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.349 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 m -59.26 107.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.9 116.68 31.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 82.7 Cg_endo -77.99 160.05 30.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.525 2.15 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 27' ' ' LEU . 74.5 Cg_endo -75.22 167.71 26.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.539 2.16 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -41.85 2.87 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -162.67 -172.03 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.9 p -71.03 -35.64 72.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.68 -47.62 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.42 -37.92 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 21' ' ' PRO . 55.6 tp -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.759 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 46.0 t80 -60.39 -39.87 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 -30.19 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.39 -44.18 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.16 -49.91 63.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.2 mtp -55.34 -37.96 68.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.738 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.675 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -89.27 -33.69 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.619 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 18.4 mmt -75.78 61.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -64.47 -33.92 77.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 43.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 43' ' ' GLU . 21.4 t -149.73 133.58 8.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.84 147.37 68.58 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -46.45 -29.15 1.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 p -72.65 -38.81 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.1 mt-10 -79.73 -33.02 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -57.56 10.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.33 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -41.83 67.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 42' ' ' THR . 63.1 t -67.58 -38.29 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.03 -44.58 84.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.5 m -53.28 -28.22 26.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 m -77.33 -45.0 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.88 -51.21 27.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' O ' HD12 ' A' ' 55' ' ' LEU . 12.5 mm-40 -56.5 -30.72 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.1 t-105 -81.13 -27.96 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.991 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.93 -27.32 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.98 -28.98 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 59' ' ' GLU . 9.3 mt -57.48 139.35 53.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 m -82.01 178.54 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -62.19 -47.44 84.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -56.84 -36.28 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -72.08 -51.68 20.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.682 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -59.59 -34.01 72.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -34.5 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -47.91 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 75.4 m-85 -68.43 -32.66 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -60.65 -32.76 71.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.0 -38.45 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.66 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.663 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.5 ttmm -61.06 -44.71 96.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.56 -50.47 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.48 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.65 -33.96 76.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -66.03 -43.71 86.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -61.53 -36.51 80.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -67.52 -40.92 85.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.719 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -61.32 -41.41 96.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.358 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -39.77 74.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 83.0 t80 -60.24 -44.79 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.486 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.5 -47.44 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 72' ' ' LYS . 28.4 t -65.98 -52.07 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.8 mm-40 -61.25 -30.16 70.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 -36.75 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.78 -51.99 29.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -33.8 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HD11 ' A' ' 85' ' ' LEU . 19.7 t80 -76.0 -46.79 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.624 HD21 ' HB ' ' A' ' 93' ' ' VAL . 21.5 mt -55.61 -61.05 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.35 -32.88 18.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.26 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 81' ' ' PHE . 2.0 mt -86.19 156.56 57.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.6 Cg_endo -64.82 175.6 3.57 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.488 2.126 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -58.81 -46.86 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.0 -51.01 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.1 tt0 -62.86 -48.32 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -32.77 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -34.13 75.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.63 -50.06 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.9 t -71.16 -48.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 98' ' ' LYS . 28.4 mt -64.81 -30.8 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.73 -0.03 89.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.811 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -119.37 -41.72 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 94' ' ' LEU . 7.0 tptt -58.01 -28.09 64.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mmt -71.18 -30.94 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -92.53 82.87 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -84.81 -19.98 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.42 45.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 p 60.23 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.6 159.56 21.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.604 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -22.33 26.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.636 2.224 . . . . 0.0 112.449 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -53.68 141.18 27.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -148.36 34.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.552 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.74 90.35 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.44 160.34 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 -132.24 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m 60.28 31.31 20.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -166.1 77.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.69 -176.9 19.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.69 -39.82 30.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt 59.87 25.27 14.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -29.01 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 64.51 36.78 8.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -78.22 -38.46 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -123.23 72.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -140.79 -72.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -27.75 39.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.592 HH21 HG22 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -131.59 155.28 81.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.875 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.1 Cg_endo -67.92 -172.75 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.524 2.15 . . . . 0.0 112.204 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.28 104.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.77 112.51 8.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 71.8 Cg_endo -76.82 154.73 34.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.482 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG3' HD13 ' A' ' 27' ' ' LEU . 64.3 Cg_endo -73.66 170.18 20.61 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.223 . . . . 0.0 112.363 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -45.42 3.79 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.536 2.157 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.47 -176.74 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.2 p -65.15 -30.31 71.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.006 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.95 -58.18 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 21' ' ' PRO . 34.4 tp -58.07 -50.11 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 55' ' ' LEU . 19.2 t80 -63.6 -32.61 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.61 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -46.87 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.93 65.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.07 -43.13 75.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.741 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.8 tp -68.77 -47.17 66.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 3.3 mtt -56.27 -37.26 69.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.81 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -87.18 -32.38 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.526 ' CE ' HD11 ' A' ' 32' ' ' LEU . 21.1 mmt -77.99 59.84 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -62.99 -33.83 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.93 43.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG11 HD12 ' A' ' 47' ' ' LEU . 17.1 t -149.87 132.93 8.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.69 147.36 69.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.361 2.041 . . . . 0.0 112.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 m -46.2 -29.4 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.287 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -72.16 -39.11 68.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.397 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HG12 ' A' ' 39' ' ' VAL . 31.1 mt-10 -79.77 -33.62 40.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.429 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -63.32 -57.14 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.381 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -41.62 65.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 42' ' ' THR . 41.7 t -70.94 -34.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.736 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD12 HG11 ' A' ' 39' ' ' VAL . 8.3 mt -67.57 -44.29 78.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.2 m -53.68 -30.11 41.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -72.66 -50.09 27.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -57.6 -34.27 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.9 t-105 -76.69 -27.21 55.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -79.73 -24.99 41.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.342 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.0 pp -93.2 -25.96 17.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.192 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.3 mt -58.48 141.45 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -84.2 179.42 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -64.56 -46.19 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 1.3 ptpp? -60.52 -30.41 69.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.782 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.7 mp0 -77.94 -47.35 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -64.32 -32.73 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.43 -35.76 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.58 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 25.5 m-85 -82.95 -30.6 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -59.29 -35.47 73.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -73.15 -36.49 66.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' CG ' HD21 ' A' ' 27' ' ' LEU . 23.2 ttmm -62.46 -45.84 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.28 -50.17 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.484 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -36.77 84.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.13 -42.91 99.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.421 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -61.33 -35.19 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.41 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -72.43 -37.99 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.369 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 ttmt -60.52 -40.7 92.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -75.6 -35.83 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.366 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 88.1 t80 -60.13 -43.49 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.4 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.13 -47.42 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.2 t -64.49 -52.78 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.2 mm-40 -60.47 -31.75 70.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 82' ' ' LEU . 68.6 tp -76.32 -33.68 59.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.13 -54.4 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -32.09 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.695 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 85' ' ' LEU . 5.7 t80 -77.83 -47.19 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.582 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 93' ' ' VAL . 17.8 mt -57.74 -58.51 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.89 -32.28 31.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.46 74.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.739 HD13 ' HG2' ' A' ' 89' ' ' GLU . 14.3 mt -89.82 156.35 47.24 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.624 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.7 Cg_endo -63.62 175.79 2.65 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.54 -46.56 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -51.85 66.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.739 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.9 tt0 -61.59 -46.39 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -31.82 69.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -36.44 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -50.26 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.9 t -68.97 -49.24 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.79 -35.64 81.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.88 -1.47 90.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -117.87 -33.48 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -100.85 -57.53 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -20.9 51.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.296 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.0 mmt -80.57 -44.87 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.5 mt -72.4 -58.63 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 58.39 30.27 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.9 tp -148.8 135.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.27 136.13 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.02 143.31 14.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.3 -44.66 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.185 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -36.95 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -80.22 -33.49 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -91.86 -70.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -73.35 146.52 45.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 114.71 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -68.13 176.64 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.84 -32.14 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.22 -142.64 9.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.44 155.0 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.41 25.76 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.76 -41.89 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.89 28.77 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -115.62 -36.51 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -97.83 35.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.44 -65.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . -61.87 -68.71 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.96 148.91 36.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 33.7 Cg_endo -65.73 -166.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.528 2.152 . . . . 0.0 112.154 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -58.18 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 115.72 17.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 74.2 Cg_endo -77.22 154.25 32.29 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.431 2.087 . . . . 0.0 112.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 27' ' ' LEU . 65.7 Cg_endo -73.69 170.84 19.06 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 -45.23 3.07 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.257 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -157.66 -171.81 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -68.04 -34.51 76.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CD2' ' CD1' ' A' ' 52' ' ' TRP . 17.5 t80 -57.83 -56.73 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -61.26 -39.94 92.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 66' ' ' LYS . 40.0 tp -60.27 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE2' HD11 ' A' ' 55' ' ' LEU . 16.7 t80 -59.73 -33.07 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -59.76 -46.2 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.31 66.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -42.85 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 ' SG ' ' A' ' 48' ' ' CYS . 46.2 tp -69.05 -48.89 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mtp -56.04 -33.93 65.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.752 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -89.36 -30.37 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.0 mmt -78.07 59.65 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.49 -37.39 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.1 43.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 43' ' ' GLU . 2.0 t -150.27 124.33 4.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 148.86 87.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.553 2.169 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -32.86 7.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.728 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.68 -38.72 87.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.59 ' CB ' HG12 ' A' ' 39' ' ' VAL . 32.9 mt-10 -79.43 -36.95 38.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -61.05 -56.55 19.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.417 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -42.55 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' THR . 49.8 t -71.46 -32.51 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' HG11 ' A' ' 39' ' ' VAL . 5.6 mt -67.89 -46.79 70.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.7 m -53.97 -31.19 49.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -69.03 -43.91 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -71.16 -47.89 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.85 -36.87 70.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 70.5 t-105 -76.89 -26.87 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -28.9 40.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -89.31 -28.03 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.9 mt -58.37 139.32 55.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -81.34 174.69 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -60.8 -43.83 97.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -59.68 -36.31 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD22 ' A' ' 55' ' ' LEU . 3.0 mm-40 -72.35 -48.65 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -63.28 -31.78 73.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -36.34 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.77 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.2 -29.7 66.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -59.14 -31.89 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -74.34 -38.09 63.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 27' ' ' LEU . 13.1 ttmm -61.54 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.56 -52.31 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.6 -34.18 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.479 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.64 -42.35 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -60.59 -35.33 75.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.2 -39.7 75.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.526 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 tttp -61.48 -41.16 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.413 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.68 -37.97 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.416 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 91.1 t80 -59.14 -43.77 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.63 -47.92 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 72' ' ' LYS . 21.6 t -65.66 -53.46 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 6.4 mm-40 -56.88 -29.71 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 11.6 tp -78.43 -39.02 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.554 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 76' ' ' VAL . 10.5 mt -66.32 -53.02 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.628 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -31.7 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' A' ' 85' ' ' LEU . 60.5 t80 -77.87 -43.62 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.69 -58.38 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.22 -32.79 38.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -33.92 75.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.75 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.4 mt -88.34 157.34 50.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.7 Cg_endo -66.19 176.52 3.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.545 2.163 . . . . 0.0 112.357 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.49 -41.97 98.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.93 -46.41 88.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.709 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.0 tt0 -68.88 -46.53 68.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.433 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -59.51 -34.98 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.616 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -33.08 75.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.69 -52.88 32.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.2 t -70.7 -40.7 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 82' ' ' LEU . 36.6 mt -72.37 -34.61 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.59 -0.48 87.51 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.09 -39.42 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.274 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 -60.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.95 -22.97 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.388 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.3 mmt -76.91 -44.9 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.5 mt -77.67 -64.01 1.25 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.587 ' O ' HD13 ' A' ' 102' ' ' ILE . 1.3 m-80 58.96 27.91 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ASN . 32.1 mm -145.04 -46.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 147.32 42.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.44 -70.14 0.51 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 -49.03 2.93 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.607 2.205 . . . . 0.0 112.267 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.05 123.21 37.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.61 81.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.523 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -141.5 -67.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -93.97 149.74 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 92.21 1.06 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 60.44 158.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.63 -46.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.05 -92.66 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.28 175.67 10.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -104.19 22.65 14.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.51 -27.31 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.07 41.01 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.348 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -106.66 30.19 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.86 32.8 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.65 -39.37 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.77 -32.18 3.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.19 153.99 77.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 48.5 Cg_endo -70.17 -175.67 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.202 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 109.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -68.18 112.41 10.74 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 74' ' ' TYR . 80.6 Cg_endo -77.62 147.03 24.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.512 2.141 . . . . 0.0 112.422 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 27' ' ' LEU . 36.8 Cg_exo -60.88 169.86 5.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.528 2.152 . . . . 0.0 112.269 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.48 -46.59 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.661 2.24 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -176.55 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 p -62.67 -32.96 74.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -54.9 -60.41 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -35.54 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 66' ' ' LYS . 32.1 tp -60.18 -53.28 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.71 -35.52 78.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -46.16 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.96 -46.97 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.754 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 48' ' ' CYS . 40.1 tp -64.23 -49.11 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.733 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.6 mtt -55.8 -39.04 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.17 71.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.7 -30.55 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE3' HD11 ' A' ' 32' ' ' LEU . 14.7 mmt -78.54 59.56 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -33.71 75.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.71 44.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 47' ' ' LEU . 15.4 t -151.24 132.84 7.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.38 146.59 69.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.466 2.11 . . . . 0.0 112.163 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.4 m -45.46 -29.77 1.21 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.93 -40.33 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.467 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' HG12 ' A' ' 39' ' ' VAL . 65.2 mt-10 -78.25 -33.05 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.585 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.6 mtt180 -62.49 -57.47 11.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.389 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -41.78 72.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 58.6 t -68.55 -36.14 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -65.69 -46.0 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.568 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.0 m -56.24 -30.34 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.8 t -69.55 -43.45 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.688 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.42 -51.04 22.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.778 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 31.7 mm-40 -57.84 -28.54 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.1 t-105 -82.65 -27.88 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -78.78 -29.38 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -84.75 -29.9 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.041 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -58.65 136.47 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 m -80.47 177.47 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -43.66 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -59.17 -34.38 72.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.789 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.4 mt-10 -74.22 -50.82 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -60.14 -31.4 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.46 -39.74 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.18 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -72.67 -31.24 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.4 -34.6 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.0 ttmm -64.96 -46.04 83.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.08 -47.39 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -36.09 82.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.298 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.65 -42.95 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.519 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.32 -32.87 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.505 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -72.16 -39.27 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -60.54 -39.17 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.429 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -77.43 -34.59 54.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.414 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CD1' ' HD3' ' A' ' 20' ' ' PRO . 76.7 t80 -60.99 -46.43 90.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.468 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.35 -47.77 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.593 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.6 t -62.39 -54.51 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.0 mm-40 -58.73 -32.61 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.96 -53.96 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -30.58 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 85' ' ' LEU . 33.8 t80 -79.48 -50.79 10.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.699 HD13 HD21 ' A' ' 94' ' ' LEU . 16.7 mt -55.3 -60.04 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -32.71 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -34.06 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.64 HD13 ' HG2' ' A' ' 89' ' ' GLU . 7.2 mt -88.06 156.46 51.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.9 Cg_endo -64.52 175.31 3.57 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.294 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.57 -43.34 97.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -58.5 -46.86 85.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.5 tt0 -67.73 -47.03 70.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.503 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.48 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.765 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -32.92 73.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -72.08 -52.04 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -66.01 -39.43 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.699 HD21 HD13 ' A' ' 82' ' ' LEU . 90.9 mt -74.26 -41.22 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.14 68.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.845 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -110.05 -40.18 4.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.775 0.321 . . . . 0.0 111.051 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -92.3 -56.01 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.982 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.556 ' HD2' HD22 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -55.41 -29.64 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.83 -27.08 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.07 61.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.795 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -99.67 37.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 pt -125.74 118.26 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t -157.46 116.97 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.3 56.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -39.94 3.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.557 2.171 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -62.87 149.12 45.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.62 132.45 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -77.7 82.45 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -125.18 -44.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -143.58 163.63 32.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 132.41 42.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 -137.87 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -162.58 156.89 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 mt -103.11 25.66 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -106.0 -42.25 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.43 31.41 20.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -81.15 -31.19 34.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -102.62 88.67 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.87 -68.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.85 -28.13 4.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.342 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.76 159.21 33.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.645 0.259 . . . . 0.0 110.742 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 39.3 Cg_endo -67.99 175.95 5.91 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -58.47 116.04 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.88 123.12 88.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 97.6 Cg_endo -79.3 139.03 14.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.528 2.152 . . . . 0.0 112.431 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.8 Cg_exo -58.25 165.4 7.3 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.413 2.075 . . . . 0.0 112.165 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.66 -48.37 2.22 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.182 . . . . 0.0 112.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -155.18 -179.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -59.49 -32.33 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.68 -54.96 34.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -70.59 -39.23 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.744 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD13 ' HG2' ' A' ' 21' ' ' PRO . 66.4 tp -58.89 -48.65 80.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 64.0 t80 -61.44 -33.79 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.608 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 t -62.25 -46.24 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.544 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.5 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.93 -45.78 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 48' ' ' CYS . 48.5 tp -66.95 -48.07 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.405 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.1 mtt -55.9 -36.46 67.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.85 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -87.29 -30.12 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.9 mmt -79.92 59.05 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.19 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -94.75 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 43' ' ' GLU . 12.1 t -149.87 131.63 7.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 146.94 79.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.426 2.084 . . . . 0.0 112.129 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -46.43 -29.37 1.69 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.309 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.77 -39.31 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' HG12 ' A' ' 39' ' ' VAL . 39.6 mt-10 -79.15 -33.92 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.42 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.2 OUTLIER -62.86 -57.64 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.438 179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -53.59 -42.01 67.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -69.81 -34.69 61.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.771 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 39' ' ' VAL . 6.9 mt -67.35 -44.34 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' SG ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -54.9 -30.45 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.77 67.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.78 -52.37 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -56.54 -30.91 63.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -80.0 -27.43 39.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -78.64 -27.93 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.6 pp -86.69 -27.91 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.109 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 59' ' ' GLU . 11.1 mt -58.21 144.57 40.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.31 -179.97 5.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -61.88 -46.34 89.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.76 -34.21 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -76.67 -50.26 14.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -60.07 -31.0 69.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.21 82.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.53 96.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.73 -28.45 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -62.61 -32.65 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -73.65 -31.45 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.3 ttmm -69.51 -42.83 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.36 -48.89 79.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -34.5 78.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.361 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.78 -41.86 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.527 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -60.61 -34.72 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.429 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -66.55 -39.83 88.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.9 tttm -62.25 -39.04 91.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.309 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -39.86 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 76.1 t80 -59.15 -46.29 88.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.435 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.3 t -65.26 -53.11 44.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.781 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -58.85 -32.62 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.57 -32.91 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.55 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 mt -72.08 -53.97 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.714 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -32.1 66.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.52 -44.55 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 HD21 ' A' ' 94' ' ' LEU . 14.0 mt -58.17 -58.48 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.63 -32.45 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.046 0.45 . . . . 0.0 110.659 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.5 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.467 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 89' ' ' GLU . 9.1 mt -90.51 155.94 45.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.659 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.7 174.62 3.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -57.16 -49.2 76.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.25 -55.35 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.557 ' HG2' HD13 ' A' ' 85' ' ' LEU . 4.4 tt0 -57.73 -46.9 83.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -30.94 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.764 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -40.75 78.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -66.22 -43.94 85.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.1 t -72.55 -49.11 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 82' ' ' LEU . 21.1 mt -65.27 -38.51 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.68 -9.21 64.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.857 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -113.93 -35.19 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -99.41 -52.53 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.182 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.73 -38.52 72.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.48 -30.72 68.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.42 70.86 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.51 30.11 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.8 mm -96.01 122.82 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.3 m -92.3 -30.96 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.18 80.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.3 -43.51 2.17 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.657 2.238 . . . . 0.0 112.422 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 m -159.99 142.05 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -55.0 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 160.25 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -107.03 156.37 18.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 86.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.569 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -93.11 172.35 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -107.72 -35.49 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 98.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -144.01 157.71 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -119.84 24.41 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -113.38 -32.2 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.54 33.38 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -37.4 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -97.77 38.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -110.55 -36.66 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.13 -46.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -121.22 157.28 56.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.674 0.273 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 38.2 Cg_endo -67.62 -179.28 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.458 2.105 . . . . 0.0 112.232 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 m -62.41 116.47 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -70.45 124.67 91.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 93.5 Cg_endo -79.91 142.88 15.97 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.523 2.149 . . . . 0.0 112.403 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 27' ' ' LEU . 47.0 Cg_exo -56.06 167.12 2.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.47 2.114 . . . . 0.0 112.144 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.93 -42.63 3.06 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.47 -176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -66.31 -30.63 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CE2' ' CD1' ' A' ' 52' ' ' TRP . 1.9 t80 -56.4 -58.28 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -36.67 84.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' PRO . 27.5 tp -60.01 -52.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.707 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -57.66 -31.71 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.51 -45.9 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.633 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -69.53 -48.42 60.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD11 ' CE ' ' A' ' 36' ' ' MET . 36.6 tp -62.56 -48.83 77.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mtt -54.33 -42.85 70.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.76 69.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -87.68 -32.2 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.554 ' CE ' HD11 ' A' ' 32' ' ' LEU . 17.3 mmt -77.61 61.01 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -35.09 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.1 44.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 43' ' ' GLU . 16.7 t -149.8 132.83 8.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 42.4 Cg_endo -67.84 145.52 68.95 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.363 2.042 . . . . 0.0 111.997 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -44.65 -30.18 0.88 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -71.01 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB2' HG12 ' A' ' 39' ' ' VAL . 56.3 mt-10 -76.03 -32.52 59.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -42.32 64.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 42' ' ' THR . 50.7 t -68.57 -37.94 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 47' ' ' LEU . 11.5 mt -64.51 -43.56 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.05 -28.54 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -76.49 -38.19 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -75.33 -51.01 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -58.35 -33.9 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t-105 -74.98 -27.5 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -79.91 -27.46 39.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -90.62 -26.65 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.8 mt -56.4 142.15 39.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -83.48 175.15 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -45.49 93.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -58.36 -36.88 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -50.82 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -60.57 -34.39 74.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.775 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.91 -36.65 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.79 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 16.4 m-85 -73.18 -29.36 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -59.74 -39.08 83.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.755 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -62.77 -35.59 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HB3' HD21 ' A' ' 27' ' ' LEU . 11.5 ttmm -67.04 -45.92 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 t -61.39 -48.24 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.244 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -37.09 86.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.76 -40.9 96.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -60.83 -37.48 82.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -66.04 -41.22 91.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.5 tttp -62.01 -38.52 88.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.329 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.81 -40.57 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 80.3 t80 -60.07 -41.39 92.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.424 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.28 -45.24 81.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' LYS . 30.6 t -68.11 -51.41 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.79 -31.91 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 82' ' ' LEU . 6.1 tp -77.26 -36.23 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.475 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -70.6 -52.67 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.603 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -33.3 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 85' ' ' LEU . 34.0 t80 -76.22 -46.23 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 94' ' ' LEU . 13.1 mt -56.35 -60.64 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.06 -33.01 23.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.654 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -32.75 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD13 ' HG2' ' A' ' 89' ' ' GLU . 8.3 mt -91.14 156.36 43.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.6 Cg_endo -63.6 175.29 2.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.584 2.189 . . . . 0.0 112.378 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.69 -47.93 82.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.34 -51.97 65.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' HD13 ' A' ' 85' ' ' LEU . 6.2 tt0 -61.29 -47.1 87.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -31.71 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.736 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.3 78.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -66.36 -47.16 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' HD21 ' A' ' 82' ' ' LEU . 32.4 t -71.8 -46.26 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' HD22 ' A' ' 82' ' ' LEU . 52.0 mt -69.15 -34.96 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.59 -0.17 88.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.819 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -119.97 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -93.02 -56.01 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.493 ' HD3' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.72 -28.75 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 72.9 mmm -70.86 -30.65 67.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.73 76.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -114.45 30.83 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.05 133.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -83.64 152.13 24.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.37 -173.81 1.24 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.605 2.203 . . . . 0.0 112.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.11 168.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.21 178.73 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.57 -68.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -136.61 151.31 49.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.07 -88.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 112.45 11.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -168.39 121.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.27 94.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -112.34 -177.64 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.17 -42.87 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -67.74 -46.03 73.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.06 34.91 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -34.74 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -105.67 41.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.6 -46.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.62 22.62 36.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.653 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -160.05 150.66 15.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.679 0.276 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 41.1 Cg_endo -68.82 -168.2 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.503 2.135 . . . . 0.0 112.203 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.91 112.49 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 111.29 10.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.2 Cg_exo -66.59 133.62 32.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.504 2.136 . . . . 0.0 112.198 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.754 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.9 Cg_exo -58.08 171.33 1.72 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.33 2.02 . . . . 0.0 112.012 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -42.48 5.57 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -160.2 -173.56 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -64.97 -37.53 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -55.41 -57.31 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -61.1 -43.19 99.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.0 tp -60.79 -49.62 76.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.746 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.24 -38.57 83.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -47.5 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.57 66.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.734 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.4 -47.54 67.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' CE ' ' A' ' 36' ' ' MET . 31.9 tp -64.24 -49.79 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.609 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 12.6 mtt -53.88 -42.12 68.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.558 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -31.38 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -87.91 -32.4 18.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.487 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.584 ' CE ' HD11 ' A' ' 32' ' ' LEU . 26.2 mmt -76.82 60.53 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.84 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.46 44.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 43' ' ' GLU . 3.8 t -149.91 129.64 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.78 146.46 83.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.385 2.057 . . . . 0.0 112.165 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -45.43 -30.35 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.592 ' HB2' HG12 ' A' ' 39' ' ' VAL . 27.6 mt-10 -77.76 -35.68 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.605 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -61.25 -57.41 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 ttm -54.77 -42.32 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 42' ' ' THR . 55.3 t -71.25 -32.38 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 39' ' ' VAL . 11.3 mt -69.22 -45.08 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.4 m -53.54 -28.69 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -74.9 -44.67 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -69.65 -52.29 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 21.8 mm-40 -56.62 -31.28 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.977 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.37 -27.95 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -31.82 46.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.4 pp -80.06 -30.9 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 59' ' ' GLU . 16.5 mt -60.66 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 178.06 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.79 -42.17 98.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.05 -39.77 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.647 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -70.91 -45.81 63.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -63.68 -32.46 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.94 -35.74 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' HE2' HD13 ' A' ' 55' ' ' LEU . 76.1 m-85 -64.15 -30.58 71.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.692 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -62.9 -32.59 73.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.48 -39.5 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' CD ' HD21 ' A' ' 27' ' ' LEU . 14.9 ttmm -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.47 -44.56 95.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -35.13 71.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.68 -43.24 99.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.08 -38.62 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.601 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 11.8 mttt -59.51 -41.12 89.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.0 ttmt -63.73 -38.4 90.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.22 -40.66 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 84.7 t80 -58.3 -43.46 88.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.91 -49.74 71.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.629 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -64.89 -54.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.4 mm-40 -56.64 -33.61 66.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.753 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.93 -32.3 59.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.643 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.66 -53.96 11.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -32.86 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 85' ' ' LEU . 54.2 t80 -75.12 -45.68 39.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.9 mt -58.01 -59.66 4.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.08 -32.75 23.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.89 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.854 HD11 ' CE1' ' A' ' 81' ' ' PHE . 2.9 mt -87.11 157.08 54.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 36.1 Cg_endo -65.37 175.26 4.28 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.0 112.325 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -58.97 -45.18 91.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.741 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.6 -52.22 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.9 tt0 -61.73 -48.69 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -35.94 72.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -38.83 91.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -70.49 -54.28 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HB ' HD21 ' A' ' 82' ' ' LEU . 23.6 t -62.38 -42.55 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 82' ' ' LEU . 44.9 mt -65.28 -35.45 81.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.31 0.04 85.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.968 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -119.52 -42.29 2.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.92 -55.99 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.13 -28.16 64.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.053 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 86.7 mmm -74.13 -30.2 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.977 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.26 88.89 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -116.78 29.31 8.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.98 179.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 m -136.54 124.22 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.27 -91.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.2 99.72 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.188 . . . . 0.0 112.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.31 171.21 7.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 m -93.88 177.95 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 -32.03 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.26 115.4 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 132.3 6.4 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -90.71 -35.23 15.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -81.24 -74.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.69 -69.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -132.96 150.87 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -104.45 25.64 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -44.32 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 58.69 41.99 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 31.55 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.41 31.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -54.26 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.87 -27.97 3.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -61.39 157.01 48.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 58.6 Cg_endo -73.45 -168.04 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.534 2.156 . . . . 0.0 112.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.2 m -68.72 114.74 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -74.11 114.35 32.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 63.2 Cg_endo -73.5 140.14 29.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.337 2.024 . . . . 0.0 112.352 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.74 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.3 Cg_exo -58.91 171.08 2.29 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.384 2.056 . . . . 0.0 112.143 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.64 -42.2 5.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -162.2 -177.85 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 78.8 p -62.28 -33.75 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.71 -55.44 29.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.7 78.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD13 ' HG2' ' A' ' 21' ' ' PRO . 64.6 tp -59.47 -43.49 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.61 -47.71 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.746 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.24 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.97 -46.6 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -47.83 70.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.0 mtt -55.06 -36.65 65.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.22 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -86.93 -32.01 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mmt -78.39 59.6 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.14 80.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.99 44.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 43' ' ' GLU . 6.6 t -149.74 131.3 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.07 147.38 73.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.421 2.081 . . . . 0.0 112.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.0 p -46.1 -29.56 1.56 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.5 m -70.9 -40.12 72.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.4 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HB2' HG12 ' A' ' 39' ' ' VAL . 1.4 mt-10 -79.21 -34.94 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -57.07 12.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.424 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 ttm -53.78 -41.93 67.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 42' ' ' THR . 57.5 t -69.28 -35.5 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD12 HG11 ' A' ' 39' ' ' VAL . 8.1 mt -67.27 -45.03 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 m -54.67 -29.72 53.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -72.46 -43.85 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -70.69 -52.08 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -56.41 -32.3 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -78.42 -27.71 46.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -79.08 -28.16 43.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -88.28 -28.86 20.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 59' ' ' GLU . 14.4 mt -56.58 138.33 52.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -82.5 174.49 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -60.26 -43.57 96.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -58.84 -31.9 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 -48.06 13.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.27 -31.23 70.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -36.78 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.93 92.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.514 ' HE2' HD13 ' A' ' 55' ' ' LEU . 43.4 m-85 -70.16 -31.4 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.714 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 4.3 m170 -62.58 -39.7 94.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.18 -38.64 91.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HD2' HD21 ' A' ' 27' ' ' LEU . 17.7 ttmm -64.3 -46.28 84.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.669 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.94 -50.62 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -33.51 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.33 -42.53 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -60.57 -32.64 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.577 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -67.87 -39.16 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.495 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.7 tttm -60.79 -47.75 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -33.87 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.9 t80 -59.24 -45.49 91.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -50.56 69.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.0 t -59.92 -55.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 3.5 mm-40 -58.69 -32.3 69.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -78.9 -32.86 45.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.595 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.76 -54.07 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.13 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 47.0 t80 -76.67 -53.11 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 HD21 ' A' ' 94' ' ' LEU . 16.4 mt -52.59 -61.0 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.981 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.35 -33.41 29.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.004 0.431 . . . . 0.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -33.99 74.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD13 ' HG2' ' A' ' 89' ' ' GLU . 10.1 mt -89.51 157.12 47.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.715 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 37.3 Cg_endo -66.05 177.16 3.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.61 -47.52 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -54.8 -50.25 68.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.713 ' HG2' HD13 ' A' ' 85' ' ' LEU . 14.6 tt0 -64.2 -48.44 75.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.566 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -30.35 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.73 76.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -70.17 -50.73 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 82' ' ' LEU . 39.4 t -65.95 -46.78 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 82' ' ' LEU . 43.6 mt -73.0 -35.56 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.87 -3.09 83.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.913 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mm-40 -117.37 -36.54 3.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.725 0.297 . . . . 0.0 111.103 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.94 -56.56 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.062 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -26.17 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.6 -33.04 36.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 96' ' ' GLU . 38.3 mt -93.44 76.62 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -104.32 30.58 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -147.1 127.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -56.78 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.65 82.86 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.59 -34.74 64.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.588 2.192 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -119.86 -173.86 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -174.35 -42.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.24 -53.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -116.43 -173.74 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 -36.22 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.7 177.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 137.96 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 -172.9 16.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -117.41 175.45 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.81 -37.85 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -44.38 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 30.84 20.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -69.72 -31.77 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.14 89.82 3.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -157.45 -62.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.89 -30.38 4.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -127.33 152.39 76.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 44.8 Cg_endo -69.39 -167.66 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.6 2.2 . . . . 0.0 112.338 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.7 p -58.98 119.31 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -71.32 112.61 14.34 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 88.9 Cg_endo -78.46 134.51 12.56 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.487 2.124 . . . . 0.0 112.475 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HG2' HD13 ' A' ' 27' ' ' LEU . 34.6 Cg_exo -57.46 164.74 6.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.375 2.05 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.68 -43.67 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.32 -174.05 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -68.41 -39.64 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.01 -53.7 52.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -31.7 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.814 HD13 ' HG2' ' A' ' 21' ' ' PRO . 40.2 tp -64.13 -52.52 58.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.835 ' CE2' HD11 ' A' ' 55' ' ' LEU . 45.3 t80 -60.8 -33.92 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -46.15 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.653 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.779 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.87 -41.86 74.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.56 -49.22 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.4 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 10.1 mtt -55.57 -37.07 67.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.71 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.17 73.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -87.54 -31.56 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.629 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HD13 ' A' ' 47' ' ' LEU . 12.4 mmt -78.23 59.71 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -34.12 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.992 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.8 43.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 47' ' ' LEU . 13.8 t -149.71 132.33 8.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.58 147.69 70.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.35 2.033 . . . . 0.0 112.153 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -46.66 -29.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -71.61 -39.07 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.378 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.2 mt-10 -79.92 -35.03 38.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -61.6 -56.95 14.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 179.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -53.96 -42.2 68.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 42' ' ' THR . 46.2 t -70.91 -33.04 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -68.92 -43.71 74.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.79 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 m -53.62 -30.39 42.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 t -73.47 -42.31 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.32 -53.04 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.0 mm-40 -56.79 -33.95 67.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.2 t-105 -75.2 -28.77 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -27.1 54.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.2 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.3 pp -88.75 -24.61 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 52' ' ' TRP . 13.1 mt -56.28 146.26 24.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 m -90.62 176.99 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -60.2 -44.28 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -58.86 -35.46 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.842 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.96 -52.24 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -59.75 -41.91 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.55 -32.77 74.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.98 90.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -69.57 -24.85 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -64.44 -32.64 74.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -76.56 -36.96 57.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.666 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.8 ttmm -61.43 -44.81 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.6 t -60.59 -45.74 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.46 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.17 -36.36 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -61.69 -41.36 97.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.507 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -60.74 -44.92 96.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.03 -36.26 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.7 tttt -59.8 -44.09 94.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.267 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -73.32 -37.56 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 76.9 t80 -58.05 -43.88 87.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.519 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.49 -50.59 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.3 t -63.46 -53.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.25 -30.61 68.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.38 -36.27 46.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 mt -69.48 -51.66 33.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -31.67 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 85' ' ' LEU . 33.0 t80 -78.26 -45.53 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 94' ' ' LEU . 14.0 mt -55.92 -59.74 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.42 -32.87 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -32.52 73.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 81' ' ' PHE . 4.0 mt -89.54 155.82 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 30.9 Cg_endo -63.85 174.45 3.81 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.401 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.87 -45.33 90.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.05 -51.57 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.7 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 85' ' ' LEU . 5.7 tt0 -62.33 -47.74 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -33.48 74.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -69.8 -46.04 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 82' ' ' LEU . 21.6 t -73.5 -40.45 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.494 ' HG ' HD22 ' A' ' 82' ' ' LEU . 58.9 mt -76.46 -36.05 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.73 -0.02 87.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.883 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -119.71 -37.57 3.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.761 0.281 . . . . 0.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -98.29 -58.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.113 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -27.64 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 34.5 mmt -71.55 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.41 70.74 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -96.43 9.72 40.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -156.44 166.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.9 m -68.82 94.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.32 -144.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.98 -24.69 52.68 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.442 2.095 . . . . 0.0 112.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.26 177.73 8.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.08 161.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.524 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -91.61 -36.36 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.01 -49.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.71 -171.1 31.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.51 137.06 40.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.95 105.35 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.74 -133.51 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.72 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 24.75 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.64 -40.35 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.08 35.69 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -101.38 -31.38 10.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.18 43.18 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.05 -44.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.9 -53.37 6.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.553 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' NE ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -132.41 163.82 47.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 40.0 Cg_endo -68.42 -167.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -68.97 116.2 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -73.93 112.5 16.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.9 Cg_exo -62.65 138.43 69.72 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.505 2.137 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 27' ' ' LEU . 31.6 Cg_exo -58.87 172.3 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.402 2.068 . . . . 0.0 112.059 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.3 -41.91 3.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.52 2.147 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -163.18 -176.74 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.7 p -63.56 -35.82 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -59.09 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.37 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.719 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HG2' ' A' ' 21' ' ' PRO . 17.0 tp -59.24 -52.7 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HE1' ' HH ' ' A' ' 63' ' ' TYR . 53.8 t80 -57.67 -34.25 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 t -57.64 -46.56 84.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.756 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.98 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.85 -45.3 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.16 -48.37 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.3 mtp -56.45 -35.98 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.59 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.767 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -87.94 -33.93 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -76.5 61.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.5 -32.02 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -95.21 41.77 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.766 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 43' ' ' GLU . 18.8 t -149.42 133.23 8.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.73 147.09 68.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.406 2.071 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -46.31 -28.96 1.45 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.66 -39.14 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' HG12 ' A' ' 39' ' ' VAL . 30.0 mt-10 -79.49 -33.99 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.383 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -57.41 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -42.26 67.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 42' ' ' THR . 60.6 t -67.74 -34.77 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.638 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.76 -43.9 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.88 -29.13 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -75.2 -42.92 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.53 -51.71 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.35 -35.54 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -74.18 -28.03 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -28.6 36.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.1 pp -89.34 -26.83 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.278 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 59' ' ' GLU . 12.5 mt -56.32 137.78 51.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.362 . . . . 0.0 111.054 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -75.64 174.89 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -62.05 -45.3 94.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -30.79 68.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.87 ' HB3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.77 -48.18 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -63.77 -32.08 73.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -37.89 85.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.718 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.59 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' HH ' ' HE1' ' A' ' 28' ' ' TYR . 50.2 m-85 -67.17 -31.73 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -60.2 -37.19 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -65.12 -35.35 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 27' ' ' LEU . 16.3 ttmm -67.11 -44.9 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -60.38 -50.08 75.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.26 -33.79 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.274 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.94 -41.43 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.385 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -41.84 88.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.471 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 20' ' ' PRO . 33.9 mttt -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.4 tttm -62.58 -34.87 77.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -39.26 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.36 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 80.8 t80 -59.24 -44.79 92.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.405 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.63 -48.3 79.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 72' ' ' LYS . 29.8 t -64.62 -53.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 5.0 mm-40 -59.6 -31.43 69.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.22 -32.73 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -75.04 -54.38 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.36 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.621 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 85' ' ' LEU . 46.3 t80 -76.9 -46.8 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.674 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 94' ' ' LEU . 16.5 mt -58.27 -59.45 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.9 -32.35 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -32.94 74.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt -88.91 157.18 49.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 33.0 Cg_endo -64.48 176.07 3.01 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.217 . . . . 0.0 112.331 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.38 -46.44 88.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.25 -51.71 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.641 ' HG2' HD13 ' A' ' 85' ' ' LEU . 8.2 tt0 -61.97 -47.04 86.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.571 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -33.32 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.14 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -67.47 -50.98 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.624 ' HB ' HD21 ' A' ' 82' ' ' LEU . 22.1 t -69.05 -43.81 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.78 HD21 HD13 ' A' ' 82' ' ' LEU . 93.2 mt -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.96 83.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.694 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.13 -38.0 3.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.77 0.319 . . . . 0.0 111.05 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -95.94 -53.41 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -61.44 -24.77 66.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.59 -30.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -76.79 63.37 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.0 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.49 30.55 6.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 102' ' ' ILE . 9.2 tp -58.63 119.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.08 -43.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.68 -75.1 1.07 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.83 137.64 42.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.589 2.193 . . . . 0.0 112.283 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.96 86.1 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -84.68 158.77 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.85 147.69 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.95 -70.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 117.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.554 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -137.8 138.69 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -128.79 175.61 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 78.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.94 161.71 37.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.3 25.54 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -36.18 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 62.39 40.24 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -41.49 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.48 32.17 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.69 -46.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.49 -38.37 69.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 9.6 mpt_? -124.59 157.34 65.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 46.0 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.145 . . . . 0.0 112.27 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -70.15 121.34 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 126.06 81.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 86.7 Cg_endo -80.6 164.77 20.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.636 2.224 . . . . 0.0 112.423 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 27' ' ' LEU . 73.8 Cg_endo -75.81 170.32 20.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.256 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.01 -45.53 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -157.13 -173.01 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -66.05 -36.78 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -56.33 -53.78 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 t -64.92 -43.22 93.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 21' ' ' PRO . 57.8 tp -61.93 -47.53 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -58.93 -38.38 78.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.95 -47.18 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.21 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.63 -48.36 64.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' SG ' ' A' ' 48' ' ' CYS . 49.8 tp -63.0 -49.87 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 8.2 mtp -54.05 -42.55 69.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.569 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.45 -31.42 69.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.039 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -88.97 -31.1 18.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mmt -78.17 60.03 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.24 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 43' ' ' GLU . 10.1 t -149.67 131.51 7.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.98 145.71 80.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.402 2.068 . . . . 0.0 112.164 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -29.81 1.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.01 -41.38 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HB2' HG12 ' A' ' 39' ' ' VAL . 35.2 mt-10 -76.86 -34.11 57.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -62.28 -58.17 8.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -42.4 69.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 42' ' ' THR . 48.1 t -70.17 -33.32 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.77 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 10.7 mt -67.64 -45.05 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.718 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 32' ' ' LEU . 30.6 m -54.71 -29.43 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.0 m -72.81 -42.33 63.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -73.71 -50.25 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 14.4 mm-40 -56.94 -33.99 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -77.42 -27.42 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -80.05 -29.9 39.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 54' ' ' LEU . 3.2 pp -86.19 -29.24 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 59' ' ' GLU . 16.3 mt -60.16 135.81 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.7 177.91 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -62.88 -45.44 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -58.78 -33.22 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.819 ' HB3' HD22 ' A' ' 55' ' ' LEU . 1.2 mt-10 -73.86 -49.74 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.793 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -63.02 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.96 -38.24 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.05 92.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -74.38 -29.92 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.14 -34.47 76.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -70.67 -35.64 72.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' CG ' HD21 ' A' ' 27' ' ' LEU . 9.6 ttmm -62.73 -44.6 95.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.27 -46.83 88.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.411 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.42 -34.64 76.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.86 -44.42 96.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -34.91 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.316 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -66.62 -40.09 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.496 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.21 -39.3 89.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -41.43 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.443 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.445 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 48.5 t80 -58.88 -40.52 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.561 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.13 -48.44 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.513 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 72' ' ' LYS . 31.8 t -63.15 -53.19 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.5 mm-40 -58.66 -31.41 68.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.88 -32.88 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.3 mt -74.58 -53.43 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -31.78 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.733 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 85' ' ' LEU . 61.5 t80 -77.88 -47.73 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' A' ' 93' ' ' VAL . 16.3 mt -56.03 -60.59 3.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.018 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.95 -32.7 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.794 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.689 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 81' ' ' PHE . 2.0 mt -85.06 156.86 60.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.649 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 32.3 Cg_endo -64.17 173.14 5.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.55 2.167 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.48 -41.45 89.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.732 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.19 -47.58 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.638 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 85' ' ' LEU . 5.3 tt0 -66.59 -47.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -34.53 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.759 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -32.97 74.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -72.33 -53.79 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 28.7 t -64.31 -38.03 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' A' ' 82' ' ' LEU . 57.1 mt -73.66 -38.59 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.78 0.12 86.99 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -119.0 -38.87 3.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -96.63 -55.35 2.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.54 -30.78 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.45 -30.76 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.45 73.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -71.82 -22.69 61.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.79 147.56 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 m -164.19 158.16 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.45 149.21 20.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.37 15.47 2.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.794 2.33 . . . . 0.0 112.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.76 62.64 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.29 -51.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.494 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -138.3 31.22 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.96 31.23 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 28.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -144.05 31.64 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 172.97 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.15 -169.27 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.9 169.99 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -107.48 -26.3 11.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -51.45 67.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.67 33.05 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.61 -31.12 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.7 46.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.1 23.25 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' CE2' ' A' ' 81' ' ' PHE . . . 143.9 -28.69 1.99 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.19 154.09 61.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 37.3 Cg_endo -67.38 -167.84 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.187 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.45 114.42 10.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -70.85 118.24 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' CG ' ' A' ' 74' ' ' TYR . 96.3 Cg_endo -79.34 151.94 23.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HG2' HD13 ' A' ' 27' ' ' LEU . 39.7 Cg_exo -60.26 165.83 10.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.56 2.173 . . . . 0.0 112.196 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.05 -42.69 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.581 2.188 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -157.27 -176.32 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 p -66.24 -34.33 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -54.32 -53.84 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.17 75.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD13 ' HG2' ' A' ' 21' ' ' PRO . 26.6 tp -59.89 -47.23 86.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.26 -34.91 79.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.88 88.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 -30.53 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -45.3 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' SG ' ' A' ' 48' ' ' CYS . 42.7 tp -68.88 -47.61 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ARG . 50.6 mtp -54.06 -42.02 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.7 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.806 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -84.06 -31.54 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 31.1 mmt -79.82 59.53 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -36.87 84.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.78 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 43' ' ' GLU . 7.3 t -148.67 130.92 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 145.89 80.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.042 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 -30.13 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -70.02 -40.56 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.439 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' HG12 ' A' ' 39' ' ' VAL . 28.9 mt-10 -77.89 -34.18 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 1.0 OUTLIER -63.44 -57.61 9.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 ttp -53.63 -42.38 67.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 42' ' ' THR . 57.8 t -69.03 -34.56 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.895 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 6.0 mt -68.38 -43.82 76.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 32' ' ' LEU . 34.5 m -54.39 -29.57 49.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.9 m -73.34 -45.77 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.02 -52.73 32.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 26.4 mm-40 -57.14 -30.69 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -81.18 -28.35 35.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -30.16 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.8 pp -83.34 -29.61 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.104 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.821 HD22 ' CB ' ' A' ' 59' ' ' GLU . 11.9 mt -58.11 141.35 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -80.63 172.41 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -35.73 76.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -39.08 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.821 ' CB ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm-40 -68.92 -44.64 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.777 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -63.74 -39.13 93.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.756 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.08 -32.49 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.759 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.29 95.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.06 -30.2 66.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.09 -31.95 70.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.76 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.45 -37.32 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' HD21 ' A' ' 27' ' ' LEU . 16.9 ttmm -64.6 -44.56 90.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.0 t -60.65 -47.53 85.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -66.5 -35.67 80.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.418 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -62.8 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.0 -32.5 72.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.472 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -70.69 -38.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -61.57 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.434 179.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -36.99 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.448 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 60.8 t80 -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.91 -45.79 87.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 72' ' ' LYS . 39.3 t -65.29 -52.06 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 2.8 mm-40 -59.49 -31.7 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.2 tp -79.58 -32.91 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 mt -73.53 -52.78 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.726 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -33.22 69.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 15' ' ' GLY . 21.0 t80 -76.18 -47.52 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.748 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 94' ' ' LEU . 16.8 mt -55.24 -60.65 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.23 -32.25 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.2 77.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 89' ' ' GLU . 2.1 mt -87.17 157.17 54.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 85' ' ' LEU . 34.0 Cg_endo -64.94 175.4 3.79 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.508 2.138 . . . . 0.0 112.33 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.19 -47.62 82.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.34 -53.17 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 85' ' ' LEU . 3.6 tt0 -60.42 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -31.45 67.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -39.79 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -65.75 -50.39 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.484 ' HB ' HD21 ' A' ' 82' ' ' LEU . 31.5 t -67.39 -42.85 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 82' ' ' LEU . 52.6 mt -71.5 -37.19 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.03 -0.24 85.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -118.15 -37.37 3.38 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -99.37 -56.34 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -22.58 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.175 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.1 mmt -78.22 -28.33 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.06 -46.66 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.4 m120 57.6 31.51 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.4 mt 61.07 89.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.83 148.42 6.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 105.18 1.7 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.6 t -87.09 138.22 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 117.86 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 stop_ save_