data_1ud7_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 1ud7 _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 ' 1' ' ' MET . . . . . 0.418 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' HG21 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' HG21 ' A' ' 23' ' ' VAL . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 61' ' ' ILE . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 67' ' ' ILE . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 66' ' ' THR . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.522 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' GLU . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 8.8 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 17' ' ' VAL . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 61' ' ' ILE . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 67' ' ' ILE . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 88.1 m-70 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.5 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.474 HG21 ' N ' ' A' ' 16' ' ' GLU . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' N ' HG21 ' A' ' 15' ' ' ILE . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 1' ' ' MET . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 43' ' ' LEU . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 HG21 ' HD2' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' HG21 ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 61' ' ' ILE . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.437 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' CD2' HG11 ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.446 HG23 ' HG3' ' A' ' 34' ' ' GLU . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 34' ' ' GLU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.532 ' CG ' HD12 ' A' ' 44' ' ' ILE . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' C ' HD11 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.56 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 68' ' ' HIS . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.479 ' N ' HG21 ' A' ' 67' ' ' ILE . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.513 ' NH1' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' NH1' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 61' ' ' ILE . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 50' ' ' LEU . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 14' ' ' THR . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.533 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' HG21 ' A' ' 55' ' ' THR . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.44 HG21 HD21 ' A' ' 5' ' ' LEU . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HG12 ' A' ' 23' ' ' VAL . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 22' ' ' THR . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 65' ' ' SER . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.1 m170 -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 17' ' ' VAL . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' HG23 ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' O ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 67' ' ' ILE . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 66' ' ' THR . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 6.3 m170 -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD11 ' CD1' ' A' ' 8' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD22 HG12 ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.531 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 51' ' ' GLU . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' CB ' HD11 ' A' ' 36' ' ' ILE . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 HD11 ' CB ' ' A' ' 34' ' ' GLU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 69' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' O ' HG21 ' A' ' 23' ' ' VAL . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 61' ' ' ILE . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 HD22 ' A' ' 43' ' ' LEU . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.469 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 15' ' ' ILE . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 3' ' ' VAL . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 1' ' ' MET . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 51' ' ' GLU . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 43' ' ' LEU . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HD3' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 26' ' ' PHE . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 17' ' ' VAL . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' HE1' ' A' ' 1' ' ' MET . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.518 ' N ' HD11 ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' HG21 ' A' ' 67' ' ' ILE . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HG3' HG22 ' A' ' 17' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 1' ' ' MET . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.464 ' CA ' ' HE3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 68' ' ' HIS . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.589 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 11' ' ' LYS . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 16' ' ' GLU . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' HG21 ' A' ' 15' ' ' ILE . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.2 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' ILE . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HG22 ' A' ' 17' ' ' VAL . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 45' ' ' PHE . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' ILE . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 16' ' ' GLU . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 15' ' ' ILE . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 23' ' ' VAL . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.537 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.53 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' N ' HG23 ' A' ' 66' ' ' THR . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 43' ' ' LEU . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 HG12 ' CE2' ' A' ' 45' ' ' PHE . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 HD13 ' HB ' ' A' ' 67' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' CG2' ' HD2' ' A' ' 29' ' ' LYS . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD12 ' A' ' 56' ' ' LEU . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 51' ' ' GLU . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HG11 ' A' ' 23' ' ' VAL . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 69' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 50' ' ' LEU . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HB ' ' A' ' 17' ' ' VAL . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 43' ' ' LEU . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CD2' HG23 ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.518 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 5' ' ' LEU . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 14' ' ' THR . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 HG22 ' HD2' ' A' ' 37' ' ' PRO . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD2' HG22 ' A' ' 36' ' ' ILE . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 34.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 69' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 58' ' ' ASP . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 ' CD1' ' A' ' 61' ' ' ILE . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HD23 ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 ' HB ' HD13 ' A' ' 5' ' ' LEU . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.9 m170 -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 HD13 HD22 ' A' ' 43' ' ' LEU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 56' ' ' LEU . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.516 HG23 ' CG ' ' A' ' 41' ' ' GLN . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.516 ' CG ' HG23 ' A' ' 36' ' ' ILE . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' CB ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 43' ' ' LEU . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CG ' HD21 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 16' ' ' GLU . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 15' ' ' ILE . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 56' ' ' LEU . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 30' ' ' ILE . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HD13 ' A' ' 69' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' A' ' 17' ' ' VAL . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 43' ' ' LEU . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' HA ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 4.5 pp0? -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' THR . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG23 ' HE1' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 25' ' ' ASN . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 69' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.531 HD21 ' CE1' ' A' ' 59' ' ' TYR . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' CE1' HD21 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.559 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.535 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.515 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 5' ' ' LEU . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 59' ' ' TYR . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 50' ' ' LEU . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' HG21 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 33.3 m-70 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HA ' HD22 ' A' ' 8' ' ' LEU . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 27' ' ' LYS . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' HD11 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 45' ' ' PHE . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' N ' HG21 ' A' ' 44' ' ' ILE . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 18' ' ' GLU . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' HG21 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' HG21 ' A' ' 23' ' ' VAL . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 61' ' ' ILE . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 67' ' ' ILE . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 66' ' ' THR . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -86.98 -33.81 19.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.08 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -143.6 45.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.01 48.72 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.16 154.24 17.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.522 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' GLU . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 8.8 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 17' ' ' VAL . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 61' ' ' ILE . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 67' ' ' ILE . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 88.1 m-70 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -62.68 123.77 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.92 111.47 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.98 132.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 159.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.49 -145.06 12.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.556 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.474 HG21 ' N ' ' A' ' 16' ' ' GLU . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' N ' HG21 ' A' ' 15' ' ' ILE . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 1' ' ' MET . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 43' ' ' LEU . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 HG21 ' HD2' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' HG21 ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 61' ' ' ILE . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.437 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.63 -35.11 78.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.05 119.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 135.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 71.11 28.69 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -150.97 10.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.526 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' CD2' HG11 ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.446 HG23 ' HG3' ' A' ' 34' ' ' GLU . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 34' ' ' GLU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.532 ' CG ' HD12 ' A' ' 44' ' ' ILE . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' C ' HD11 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.56 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 68' ' ' HIS . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.479 ' N ' HG21 ' A' ' 67' ' ' ILE . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -27.44 11.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 173.38 64.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.614 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER 68.2 162.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -76.6 -90.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.85 -170.2 13.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.587 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.44 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CD ' ' HA2' ' A' ' 75' ' ' GLY . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.513 ' NH1' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' NH1' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 61' ' ' ILE . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 50' ' ' LEU . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -88.31 -38.02 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 36.1 ttt-85 86.57 -0.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 1.4 mp 68.69 165.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 41.94 93.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 40' ' ' GLN . . . -60.6 -76.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 14' ' ' THR . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.533 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' HG21 ' A' ' 55' ' ' THR . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.44 HG21 HD21 ' A' ' 5' ' ' LEU . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HG12 ' A' ' 23' ' ' VAL . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 22' ' ' THR . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 65' ' ' SER . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.1 m170 -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -53.34 -31.74 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 82.92 158.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.62 -165.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -168.17 75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.85 -86.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 17' ' ' VAL . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' HG23 ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' O ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 67' ' ' ILE . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 66' ' ' THR . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 6.3 m170 -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD11 ' CD1' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -83.18 -37.39 23.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 21.0 ttp180 67.57 150.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.43 169.56 8.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 124.1 28.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.568 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.455 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD22 HG12 ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.531 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 51' ' ' GLU . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' CB ' HD11 ' A' ' 36' ' ' ILE . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 HD11 ' CB ' ' A' ' 34' ' ' GLU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 69' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' O ' HG21 ' A' ' 23' ' ' VAL . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 61' ' ' ILE . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 HD22 ' A' ' 43' ' ' LEU . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 139.87 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -113.69 86.78 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.028 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 2.1 mt -108.16 84.71 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.7 ttt180 85.15 58.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.74 137.53 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.523 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 15' ' ' ILE . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 3' ' ' VAL . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 1' ' ' MET . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 51' ' ' GLU . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 43' ' ' LEU . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HD3' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD3' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 26' ' ' PHE . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 17' ' ' VAL . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' HE1' ' A' ' 1' ' ' MET . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.518 ' N ' HD11 ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' HG21 ' A' ' 67' ' ' ILE . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 123.85 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 3.8 ttm-85 -104.45 147.96 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.93 160.86 14.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -23.36 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.0 90.26 2.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HG3' HG22 ' A' ' 17' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 1' ' ' MET . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' CA ' ' HE3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 68' ' ' HIS . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.589 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.26 131.64 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -114.05 68.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tt -97.76 -5.25 35.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 63.07 102.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.02 103.17 1.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.438 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.531 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 11' ' ' LYS . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 16' ' ' GLU . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' HG21 ' A' ' 15' ' ' ILE . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.2 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' ILE . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HG22 ' A' ' 17' ' ' VAL . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 45' ' ' PHE . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' ILE . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 4.9 mt -65.63 -32.47 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.58 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 2.4 ttt-85 97.73 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tp 76.32 23.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 52.23 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.29 71.69 0.44 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 16' ' ' GLU . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 15' ' ' ILE . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 23' ' ' VAL . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.537 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.53 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' N ' HG23 ' A' ' 66' ' ' THR . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 43' ' ' LEU . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -92.96 -40.16 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.6 ttt180 83.84 109.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.05 53.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -154.87 105.57 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.17 36.71 29.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.483 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 HG12 ' CE2' ' A' ' 45' ' ' PHE . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -30.96 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.69 87.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tp -158.97 101.17 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.6 -48.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.27 -151.12 17.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 HD13 ' HB ' ' A' ' 67' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' CG2' ' HD2' ' A' ' 29' ' ' LYS . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD12 ' A' ' 56' ' ' LEU . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 51' ' ' GLU . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HG11 ' A' ' 23' ' ' VAL . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 69' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 50' ' ' LEU . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HB ' ' A' ' 17' ' ' VAL . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 43' ' ' LEU . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -64.25 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.8 ttt-85 55.83 154.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . 2.7 tm? 54.71 115.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 -38.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' OXT' ' A' ' 76' ' ' GLY . . . 99.36 148.04 22.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.516 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' OXT' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CD2' HG23 ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.518 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 5' ' ' LEU . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 14' ' ' THR . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 HG22 ' HD2' ' A' ' 37' ' ' PRO . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD2' HG22 ' A' ' 36' ' ' ILE . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 34.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 69' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 58' ' ' ASP . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 ' CD1' ' A' ' 61' ' ' ILE . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HD23 ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' HB ' HD13 ' A' ' 5' ' ' LEU . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.9 m170 -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD13 HD22 ' A' ' 43' ' ' LEU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 134.42 33.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -135.56 155.1 51.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -111.23 127.75 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -51.01 65.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.21 163.27 10.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.443 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 56' ' ' LEU . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.516 HG23 ' CG ' ' A' ' 41' ' ' GLN . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.516 ' CG ' HG23 ' A' ' 36' ' ' ILE . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' CB ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 43' ' ' LEU . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CG ' HD21 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.47 120.14 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.0 145.94 27.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.137 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -167.04 -169.6 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 14.6 ttt180 77.75 102.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -58.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.476 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 16' ' ' GLU . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 15' ' ' ILE . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 56' ' ' LEU . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 30' ' ' ILE . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HD13 ' A' ' 69' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' A' ' 17' ' ' VAL . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 43' ' ' LEU . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.83 127.93 37.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -107.06 125.8 51.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -161.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.98 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.19 -116.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' HA ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 4.5 pp0? -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' THR . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG23 ' HE1' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 25' ' ' ASN . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 69' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.531 HD21 ' CE1' ' A' ' 59' ' ' TYR . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' CE1' HD21 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.559 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.61 -25.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.53 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.7 tp 173.58 128.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 9.6 ttp180 84.61 -65.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.35 -98.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.515 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 5' ' ' LEU . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 59' ' ' TYR . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 50' ' ' LEU . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' HG21 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 33.3 m-70 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 3.7 mm? -77.95 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.1 ptp180 153.23 125.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.914 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.92 94.85 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -71.19 125.62 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.3 -95.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.463 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HA ' HD22 ' A' ' 8' ' ' LEU . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 27' ' ' LYS . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' HD11 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 45' ' ' PHE . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' N ' HG21 ' A' ' 44' ' ' ILE . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 18' ' ' GLU . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -84.85 -33.99 22.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER 73.51 104.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 48.66 97.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.35 68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.21 125.85 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.453 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.507 HD13 HD13 ' A' ' 69' ' ' LEU . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 71' ' ' LEU . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 22' ' ' THR . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 67' ' ' ILE . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 30' ' ' ILE . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CD1' HG23 ' A' ' 14' ' ' THR . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HB3' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.808 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 37.7 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 44' ' ' ILE . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 22' ' ' THR . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 56' ' ' LEU . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.416 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.701 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG3' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HE2' HD13 ' A' ' 67' ' ' ILE . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' GLY . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD1' HG12 ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 5' ' ' LEU . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.588 HD12 HD21 ' A' ' 69' ' ' LEU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HB3' HG23 ' A' ' 70' ' ' VAL . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.588 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' GLU . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' A' ' 55' ' ' THR . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 55' ' ' THR . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.774 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 69' ' ' LEU . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 34' ' ' GLU . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 22' ' ' THR . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.759 ' HB2' HG23 ' A' ' 61' ' ' ILE . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.774 HD13 ' CE2' ' A' ' 26' ' ' PHE . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' OE2' ' A' ' 34' ' ' GLU . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.843 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.538 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 29' ' ' LYS . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' MET . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 51' ' ' GLU . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 43' ' ' LEU . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' A' ' 67' ' ' ILE . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD22 HG12 ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.419 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 43' ' ' LEU . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.541 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 61' ' ' ILE . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' HD22 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 65' ' ' SER . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.626 ' HB2' HG23 ' A' ' 61' ' ' ILE . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.009 HD13 HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 55' ' ' THR . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.78 ' HE2' HD13 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.702 HG21 HD11 ' A' ' 71' ' ' LEU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 50' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 49' ' ' GLN . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.636 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 43' ' ' LEU . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 22' ' ' THR . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.78 HD13 ' HE2' ' A' ' 26' ' ' PHE . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.518 ' SD ' HG23 ' A' ' 17' ' ' VAL . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.431 HG13 ' HG3' ' A' ' 1' ' ' MET . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 71' ' ' LEU . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.558 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' A' ' 33' ' ' LYS . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 56' ' ' LEU . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.665 ' HA ' HG22 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 54' ' ' ARG . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 22' ' ' THR . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 61' ' ' ILE . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.427 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HB2' HG23 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 55' ' ' THR . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG12 ' HD2' ' A' ' 27' ' ' LYS . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG12 ' A' ' 23' ' ' VAL . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 22' ' ' THR . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.932 HD22 HD12 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.932 HD12 HD22 ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.79 HG23 ' HB2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.787 ' HE3' HG22 ' A' ' 61' ' ' ILE . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.0 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.462 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 69' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' A' ' 61' ' ' ILE . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.787 HG22 ' HE3' ' A' ' 1' ' ' MET . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.671 ' C ' HD12 ' A' ' 67' ' ' ILE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 66' ' ' THR . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 43' ' ' LEU . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 71' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.45 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' CZ ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.796 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 43' ' ' LEU . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 HD21 ' A' ' 71' ' ' LEU . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.668 ' CZ ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.669 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.564 ' OE1' HG22 ' A' ' 14' ' ' THR . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 69' ' ' LEU . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.465 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.733 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 43' ' ' LEU . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 56' ' ' LEU . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' ILE . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 67' ' ' ILE . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 67' ' ' ILE . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' O ' HD21 ' A' ' 8' ' ' LEU . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 15' ' ' ILE . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 30' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' VAL . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' LEU . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' HG22 ' A' ' 3' ' ' VAL . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 55' ' ' THR . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.612 HG12 HD22 ' A' ' 5' ' ' LEU . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 5' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 22' ' ' THR . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 61' ' ' ILE . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 61' ' ' ILE . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.41 ' HB ' HD12 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' THR . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE2' ' CG2' ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.495 ' CG2' ' CE2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 55' ' ' THR . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 26' ' ' PHE . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 30' ' ' ILE . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 26' ' ' PHE . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 72.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 22' ' ' THR . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 17' ' ' VAL . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 15' ' ' ILE . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' HG23 ' A' ' 66' ' ' THR . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.474 ' OG1' ' HE3' ' A' ' 6' ' ' LYS . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.795 ' O ' HG22 ' A' ' 3' ' ' VAL . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.582 ' HB2' HD11 ' A' ' 50' ' ' LEU . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.759 HD23 ' CE2' ' A' ' 59' ' ' TYR . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.759 ' CE2' HD23 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.845 HG23 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.769 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 67' ' ' ILE . 10.7 m80 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.936 HD22 HG12 ' A' ' 30' ' ' ILE . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 70' ' ' VAL . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 67' ' ' ILE . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.936 HG12 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 36' ' ' ILE . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 50' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 43' ' ' LEU . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.595 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 15' ' ' ILE . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD11 HD23 ' A' ' 71' ' ' LEU . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.551 ' NE ' HD11 ' A' ' 44' ' ' ILE . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.954 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' NE ' ' A' ' 42' ' ' ARG . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 43' ' ' LEU . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.737 ' HB2' HG23 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.702 ' C ' HD12 ' A' ' 67' ' ' ILE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.791 HD12 ' N ' ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.575 ' SD ' HG23 ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.553 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.541 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.485 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 43' ' ' LEU . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 27' ' ' LYS . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' PRO . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 27' ' ' LYS . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' HE ' ' A' ' 42' ' ' ARG . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.848 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' OE1' ' A' ' 40' ' ' GLN . 3.7 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 70' ' ' VAL . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' GLU . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 15' ' ' ILE . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' A' ' 55' ' ' THR . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' ARG . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HA ' HD12 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 27' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HG21 ' A' ' 67' ' ' ILE . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLY . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 4' ' ' PHE . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 43' ' ' LEU . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.507 HD13 HD13 ' A' ' 69' ' ' LEU . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 71' ' ' LEU . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 22' ' ' THR . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 67' ' ' ILE . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 30' ' ' ILE . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -86.98 -33.81 19.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' C ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 76.08 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -143.6 45.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.01 48.72 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.16 154.24 17.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CD1' HG23 ' A' ' 14' ' ' THR . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HB3' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.808 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 8.8 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 44' ' ' ILE . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 22' ' ' THR . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 56' ' ' LEU . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -62.68 123.77 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.92 111.47 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER 68.98 132.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 159.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.49 -145.06 12.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.556 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.701 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG3' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HE2' HD13 ' A' ' 67' ' ' ILE . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' GLY . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD1' HG12 ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 5' ' ' LEU . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.63 -35.11 78.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.05 119.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 135.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 71.11 28.69 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -150.97 10.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.526 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD12 HD21 ' A' ' 69' ' ' LEU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HB3' HG23 ' A' ' 70' ' ' VAL . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.588 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -51.71 -27.44 11.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 173.38 64.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.614 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER 68.2 162.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.433 ' N ' HD12 ' A' ' 73' ' ' LEU . 4.9 mtm-85 -76.6 -90.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.85 -170.2 13.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.587 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.44 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' GLU . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' A' ' 55' ' ' THR . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 55' ' ' THR . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.774 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 69' ' ' LEU . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 34' ' ' GLU . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' CD ' ' HA2' ' A' ' 75' ' ' GLY . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 22' ' ' THR . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.759 ' HB2' HG23 ' A' ' 61' ' ' ILE . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.774 HD13 ' CE2' ' A' ' 26' ' ' PHE . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' OE2' ' A' ' 34' ' ' GLU . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -88.31 -38.02 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 36.1 ttt-85 86.57 -0.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 1.4 mp 68.69 165.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 41.94 93.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' CD ' ' A' ' 40' ' ' GLN . . . -60.6 -76.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.843 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.538 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 29' ' ' LYS . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' MET . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 51' ' ' GLU . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 43' ' ' LEU . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' A' ' 67' ' ' ILE . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -53.34 -31.74 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 82.92 158.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.62 -165.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -168.17 75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.85 -86.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD22 HG12 ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.419 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 43' ' ' LEU . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.541 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 61' ' ' ILE . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' HD22 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 65' ' ' SER . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.626 ' HB2' HG23 ' A' ' 61' ' ' ILE . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.009 HD13 HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -83.18 -37.39 23.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 21.0 ttp180 67.57 150.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.43 169.56 8.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 124.1 28.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.568 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.455 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 55' ' ' THR . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.78 ' HE2' HD13 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.702 HG21 HD11 ' A' ' 71' ' ' LEU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 50' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 49' ' ' GLN . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.636 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 43' ' ' LEU . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 22' ' ' THR . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.78 HD13 ' HE2' ' A' ' 26' ' ' PHE . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.07 139.87 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -113.69 86.78 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.028 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 71' ' ' LEU . 2.1 mt -108.16 84.71 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.7 ttt180 85.15 58.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.74 137.53 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.523 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' SD ' HG23 ' A' ' 17' ' ' VAL . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.431 HG13 ' HG3' ' A' ' 1' ' ' MET . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 71' ' ' LEU . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' A' ' 33' ' ' LYS . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 56' ' ' LEU . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.665 ' HA ' HG22 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 54' ' ' ARG . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 22' ' ' THR . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 61' ' ' ILE . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.427 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -81.83 123.85 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 3.8 ttm-85 -104.45 147.96 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.93 160.86 14.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -23.36 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.0 90.26 2.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HB2' HG23 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 55' ' ' THR . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG12 ' HD2' ' A' ' 27' ' ' LYS . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG12 ' A' ' 23' ' ' VAL . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 22' ' ' THR . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.932 HD22 HD12 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.932 HD12 HD22 ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.79 HG23 ' HB2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -78.26 131.64 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -114.05 68.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 73' ' ' LEU . 6.0 tt -97.76 -5.25 35.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 63.07 102.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.02 103.17 1.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.438 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.531 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.787 ' HE3' HG22 ' A' ' 61' ' ' ILE . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.0 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 69' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' A' ' 61' ' ' ILE . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.787 HG22 ' HE3' ' A' ' 1' ' ' MET . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.671 ' C ' HD12 ' A' ' 67' ' ' ILE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 66' ' ' THR . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 43' ' ' LEU . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 4.9 mt -65.63 -32.47 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.58 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 2.4 ttt-85 97.73 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tp 76.32 23.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 52.23 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.29 71.69 0.44 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.45 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' CZ ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.796 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 43' ' ' LEU . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 HD21 ' A' ' 71' ' ' LEU . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.668 ' CZ ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.669 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -92.96 -40.16 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.6 ttt180 83.84 109.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.05 53.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -154.87 105.57 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.17 36.71 29.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.483 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' OE1' HG22 ' A' ' 14' ' ' THR . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 69' ' ' LEU . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.733 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 43' ' ' LEU . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 56' ' ' LEU . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' ILE . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 67' ' ' ILE . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 67' ' ' ILE . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' O ' HD21 ' A' ' 8' ' ' LEU . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.61 -30.96 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.69 87.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tp -158.97 101.17 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.6 -48.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.27 -151.12 17.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 15' ' ' ILE . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 30' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' VAL . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' LEU . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' HG22 ' A' ' 3' ' ' VAL . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 55' ' ' THR . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.612 HG12 HD22 ' A' ' 5' ' ' LEU . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 5' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 22' ' ' THR . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 61' ' ' ILE . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 61' ' ' ILE . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.41 ' HB ' HD12 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -64.25 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.8 ttt-85 55.83 154.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . 2.7 tm? 54.71 115.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 -38.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' OXT' ' A' ' 76' ' ' GLY . . . 99.36 148.04 22.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.516 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' OXT' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' THR . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE2' ' CG2' ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.495 ' CG2' ' CE2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 55' ' ' THR . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 26' ' ' PHE . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 30' ' ' ILE . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 26' ' ' PHE . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 72.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 22' ' ' THR . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 17' ' ' VAL . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 134.42 33.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -135.56 155.1 51.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -111.23 127.75 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -51.01 65.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.21 163.27 10.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.443 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 15' ' ' ILE . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' HG23 ' A' ' 66' ' ' THR . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.474 ' OG1' ' HE3' ' A' ' 6' ' ' LYS . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.795 ' O ' HG22 ' A' ' 3' ' ' VAL . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.582 ' HB2' HD11 ' A' ' 50' ' ' LEU . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.759 HD23 ' CE2' ' A' ' 59' ' ' TYR . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.759 ' CE2' HD23 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.845 HG23 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.769 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 67' ' ' ILE . 10.7 m80 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -92.47 120.14 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.0 145.94 27.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.137 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -167.04 -169.6 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 14.6 ttt180 77.75 102.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -58.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.476 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD22 HG12 ' A' ' 30' ' ' ILE . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 70' ' ' VAL . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 67' ' ' ILE . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.936 HG12 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 36' ' ' ILE . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 50' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 43' ' ' LEU . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.595 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -91.83 127.93 37.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -107.06 125.8 51.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -161.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.98 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.19 -116.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 15' ' ' ILE . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD11 HD23 ' A' ' 71' ' ' LEU . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.551 ' NE ' HD11 ' A' ' 44' ' ' ILE . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.954 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' NE ' ' A' ' 42' ' ' ARG . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 43' ' ' LEU . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.737 ' HB2' HG23 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.702 ' C ' HD12 ' A' ' 67' ' ' ILE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.791 HD12 ' N ' ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -47.61 -25.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.53 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.7 tp 173.58 128.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 9.6 ttp180 84.61 -65.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.35 -98.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.575 ' SD ' HG23 ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.553 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.541 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 43' ' ' LEU . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 27' ' ' LYS . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' PRO . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 27' ' ' LYS . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' HE ' ' A' ' 42' ' ' ARG . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.848 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 3.7 mm? -77.95 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.1 ptp180 153.23 125.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.914 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.92 94.85 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -71.19 125.62 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.3 -95.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.463 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 70' ' ' VAL . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' GLU . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 15' ' ' ILE . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' A' ' 55' ' ' THR . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' ARG . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HA ' HD12 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 27' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HG21 ' A' ' 67' ' ' ILE . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLY . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 4' ' ' PHE . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 43' ' ' LEU . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -84.85 -33.99 22.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER 73.51 104.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 48.66 97.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.35 68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.21 125.85 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.453 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.507 HD13 HD13 ' A' ' 69' ' ' LEU . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 71' ' ' LEU . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 22' ' ' THR . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 30' ' ' ILE . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CD1' HG23 ' A' ' 14' ' ' THR . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HB3' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.808 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 8.8 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 44' ' ' ILE . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 22' ' ' THR . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.416 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 88.1 m-70 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.701 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG3' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HE2' HD13 ' A' ' 67' ' ' ILE . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' GLY . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD1' HG12 ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 5' ' ' LEU . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.588 HD12 HD21 ' A' ' 69' ' ' LEU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HB3' HG23 ' A' ' 70' ' ' VAL . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.56 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.588 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' GLU . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' A' ' 55' ' ' THR . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 55' ' ' THR . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.774 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 69' ' ' LEU . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 34' ' ' GLU . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 22' ' ' THR . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.759 ' HB2' HG23 ' A' ' 61' ' ' ILE . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.774 HD13 ' CE2' ' A' ' 26' ' ' PHE . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' OE2' ' A' ' 34' ' ' GLU . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.843 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.538 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 29' ' ' LYS . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' MET . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 51' ' ' GLU . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 43' ' ' LEU . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' A' ' 67' ' ' ILE . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.1 m170 -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD22 HG12 ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.419 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 43' ' ' LEU . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.541 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 61' ' ' ILE . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' HD22 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 65' ' ' SER . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.626 ' HB2' HG23 ' A' ' 61' ' ' ILE . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 6.3 m170 -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.009 HD13 HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 55' ' ' THR . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.78 ' HE2' HD13 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.702 HG21 HD11 ' A' ' 71' ' ' LEU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 50' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 49' ' ' GLN . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.636 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 43' ' ' LEU . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 22' ' ' THR . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.78 HD13 ' HE2' ' A' ' 26' ' ' PHE . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.518 ' SD ' HG23 ' A' ' 17' ' ' VAL . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.431 HG13 ' HG3' ' A' ' 1' ' ' MET . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 71' ' ' LEU . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.558 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' A' ' 33' ' ' LYS . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 56' ' ' LEU . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.665 ' HA ' HG22 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 54' ' ' ARG . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 22' ' ' THR . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 61' ' ' ILE . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.427 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HB2' HG23 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 55' ' ' THR . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG12 ' HD2' ' A' ' 27' ' ' LYS . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG12 ' A' ' 23' ' ' VAL . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 22' ' ' THR . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.932 HD22 HD12 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.932 HD12 HD22 ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.79 HG23 ' HB2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.589 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.787 ' HE3' HG22 ' A' ' 61' ' ' ILE . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.2 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.462 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 69' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' A' ' 61' ' ' ILE . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.787 HG22 ' HE3' ' A' ' 1' ' ' MET . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.671 ' C ' HD12 ' A' ' 67' ' ' ILE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 66' ' ' THR . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 43' ' ' LEU . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 71' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.45 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' CZ ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.796 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 43' ' ' LEU . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 HD21 ' A' ' 71' ' ' LEU . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 44' ' ' ILE . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.668 ' CZ ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.669 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.564 ' OE1' HG22 ' A' ' 14' ' ' THR . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 69' ' ' LEU . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.465 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.733 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 43' ' ' LEU . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 56' ' ' LEU . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' ILE . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 67' ' ' ILE . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' O ' HD21 ' A' ' 8' ' ' LEU . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 15' ' ' ILE . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 30' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' VAL . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' LEU . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' HG22 ' A' ' 3' ' ' VAL . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 55' ' ' THR . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.612 HG12 HD22 ' A' ' 5' ' ' LEU . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 5' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 22' ' ' THR . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 61' ' ' ILE . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 61' ' ' ILE . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.41 ' HB ' HD12 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' THR . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD2' ' CG2' ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.495 ' CG2' ' CD2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 55' ' ' THR . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 26' ' ' PHE . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 30' ' ' ILE . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 26' ' ' PHE . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 34.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 22' ' ' THR . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 17' ' ' VAL . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.9 m170 -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 15' ' ' ILE . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' HG23 ' A' ' 66' ' ' THR . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.474 ' OG1' ' HE3' ' A' ' 6' ' ' LYS . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.795 ' O ' HG22 ' A' ' 3' ' ' VAL . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.582 ' HB2' HD11 ' A' ' 50' ' ' LEU . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.759 HD23 ' CE2' ' A' ' 59' ' ' TYR . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.759 ' CE2' HD23 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.845 HG23 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.769 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 67' ' ' ILE . 11.8 m-70 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.936 HD22 HG12 ' A' ' 30' ' ' ILE . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 70' ' ' VAL . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 67' ' ' ILE . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.936 HG12 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 36' ' ' ILE . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 50' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 43' ' ' LEU . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.595 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 4.5 pp0? -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 15' ' ' ILE . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD11 HD23 ' A' ' 71' ' ' LEU . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.551 ' NE ' HD11 ' A' ' 44' ' ' ILE . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.954 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' NE ' ' A' ' 42' ' ' ARG . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 43' ' ' LEU . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.737 ' HB2' HG23 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.702 ' C ' HD12 ' A' ' 67' ' ' ILE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.575 ' SD ' HG23 ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.553 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.485 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 43' ' ' LEU . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 27' ' ' LYS . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' PRO . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 27' ' ' LYS . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' HE ' ' A' ' 42' ' ' ARG . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.848 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 33.3 m-70 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' OE1' ' A' ' 40' ' ' GLN . 3.7 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 70' ' ' VAL . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' GLU . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 15' ' ' ILE . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' A' ' 55' ' ' THR . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' ARG . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HA ' HD12 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 27' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HG21 ' A' ' 67' ' ' ILE . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLY . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 4' ' ' PHE . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 43' ' ' LEU . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 7.7 ptt? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -99.0 135.2 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.9 163.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -111.61 124.96 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -105.88 132.55 51.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.847 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 139.1 40.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -102.85 -178.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -72.7 -8.66 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.2 p -99.64 -21.03 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.07 30.1 6.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.612 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -96.38 134.68 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.792 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -101.22 122.67 44.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 15.9 m -117.14 149.71 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 p -107.96 103.44 12.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -110.57 150.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -99.7 123.72 44.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 m -140.41 165.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.1 mt-10 -129.32 151.35 77.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.62 -27.64 52.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.236 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -84.42 5.03 28.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 55' ' ' THR . 27.5 m-20 -82.58 143.9 30.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 55' ' ' THR . 34.7 p -96.92 144.11 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 51' ' ' GLU . 69.1 t -42.22 -43.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 1.3 mt-10 -51.79 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -52.34 -42.06 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.415 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD3' ' HB2' ' A' ' 41' ' ' GLN . 20.0 mttt -58.6 -30.31 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -66.4 -41.96 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -62.8 -42.57 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.507 HD13 HD13 ' A' ' 69' ' ' LEU . 33.1 mt -63.88 -39.83 86.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.814 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.8 tt0 -59.91 -40.17 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.66 -12.97 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -107.24 -40.99 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 19.1 mm-40 -101.77 -25.77 13.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.236 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.33 35.06 56.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.584 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 71' ' ' LEU . 59.2 mt -116.72 124.5 29.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.3 139.91 72.96 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.254 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.54 -24.79 17.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.44 -22.41 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -112.24 8.59 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 27' ' ' LYS . 48.5 mt-30 -99.79 138.8 36.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -140.21 110.46 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 69' ' ' LEU . 6.7 mt -100.15 121.97 42.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 5.1 mp -118.22 113.7 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.64 125.06 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.62 41.72 26.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.95 -35.88 3.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.776 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.27 144.71 44.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.978 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.21 105.35 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -49.6 132.35 21.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.5 mt-10 -99.97 152.72 19.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.3 m-20 -70.64 -0.76 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.582 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.57 29.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.46 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 mtm180 -105.35 177.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 22' ' ' THR . 68.2 p -124.74 179.59 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -67.86 -45.19 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -61.49 -25.32 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.762 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 26.8 m-20 -61.28 -35.04 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.33 22.1 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 49.77 49.83 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.31 137.85 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -119.15 -173.56 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.79 160.31 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.38 11.64 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.82 144.63 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.8 m -115.62 140.47 49.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.1 mp -128.97 146.7 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -103.74 132.13 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 30' ' ' ILE . 5.6 tp -103.96 140.64 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -130.53 158.86 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -86.98 -33.81 19.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' C ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 76.08 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -143.6 45.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.01 48.72 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.16 154.24 17.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 63' ' ' LYS . 5.8 mm-40 -99.11 108.64 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.82 160.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CD1' HG23 ' A' ' 14' ' ' THR . 43.3 m-85 -114.81 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -111.46 132.11 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.666 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -107.32 154.94 20.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 11' ' ' LYS . 6.3 p -99.82 -160.0 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.08 1.96 25.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 68.7 p -128.59 -96.97 0.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.369 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . -152.96 44.56 0.61 Allowed Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.942 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HB3' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER -102.07 117.65 35.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.787 0.327 . . . . 0.0 110.782 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -99.9 119.52 38.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 5' ' ' LEU . 3.0 m -119.28 140.51 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -100.67 130.51 46.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.74 144.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.57 123.0 43.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' A' ' 1' ' ' MET . 35.7 m -140.37 164.39 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 3.9 mm-40 -111.74 147.37 36.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.43 -32.2 33.36 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -86.66 24.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.303 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.2 m-20 -92.16 142.41 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.808 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.1 p -91.78 150.66 20.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 59.9 t -51.47 -39.6 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.23 -49.95 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -57.36 -31.53 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -45.98 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.429 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -63.2 -27.71 69.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.85 64.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -62.53 -37.4 85.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.87 -33.27 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.7 tm0? -56.82 -49.78 74.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.49 -8.49 26.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.74 -50.77 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.303 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.78 -16.7 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.245 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 66.17 58.34 9.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.3 129.29 17.73 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.8 Cg_exo -58.39 136.03 71.75 Favored 'Trans proline' 0 CA--C 1.527 0.137 0 C-N-CA 122.822 2.348 . . . . 0.0 112.132 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.4 Cg_exo -52.11 -36.27 65.42 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.13 -12.86 13.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 8.8 mt-30 -121.6 7.72 10.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -99.63 112.87 25.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 44' ' ' ILE . 6.7 ttp180 -112.92 110.47 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' LEU . 6.3 mt -99.89 113.44 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 15.6 mm -108.08 111.82 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 61' ' ' ILE . 20.5 t80 -119.2 131.34 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.11 56.8 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.92 38.21 30.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -144.08 113.7 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -68.67 137.98 54.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mp -88.31 124.78 34.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -101.45 154.45 18.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.74 -0.31 8.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.503 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.82 -12.48 32.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.32 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.16 -179.6 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 22' ' ' THR . 25.6 p -136.39 169.3 17.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.8 mt -53.25 -48.67 68.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 p -58.69 -39.65 81.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 90.2 m-20 -57.94 -27.26 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 32.1 m-85 -100.36 10.66 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 52.76 50.61 17.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG12 ' CE2' ' A' ' 45' ' ' PHE . 16.6 mt -86.06 141.65 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -99.03 175.6 5.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -78.97 0.26 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -129.03 8.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -69.82 155.24 40.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -117.35 139.87 50.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.416 ' HB ' HD12 ' A' ' 5' ' ' LEU . 5.1 mp -121.78 143.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 88.1 m-70 -102.69 136.43 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.22 130.32 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.74 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -136.64 127.21 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -62.68 123.77 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.92 111.47 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER 68.98 132.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 159.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.49 -145.06 12.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.556 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 54.7 mt-30 -99.08 153.03 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.28 161.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 70.3 m-85 -114.76 120.54 40.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -112.98 136.51 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 mtmt -111.78 139.89 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 HG23 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -101.37 -166.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.701 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.2 mt -73.52 -4.7 35.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -98.86 -24.43 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 27.34 9.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG3' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.44 157.4 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.642 179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.59 120.88 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.388 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 5' ' ' LEU . 1.1 m -112.05 144.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.81 101.9 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -104.68 142.96 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.666 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -99.32 125.52 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.8 m -140.81 169.1 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.451 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.94 127.9 26.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 20' ' ' SER . 65.2 Cg_exo -50.55 91.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.589 2.192 . . . . 0.0 111.885 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.4 p 150.09 -3.03 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.756 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -74.49 158.87 33.05 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.685 0.278 . . . . 0.0 110.519 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -97.87 156.1 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 52' ' ' ASP . 42.4 t -53.56 -38.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -47.48 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.79 -30.88 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.407 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HE2' HD13 ' A' ' 67' ' ' ILE . 1.5 t80 -67.97 -46.16 72.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -70.97 -32.76 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.745 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.31 90.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.33 -49.13 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.51 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 50.9 mt -55.1 -37.01 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.0 tt0 -55.8 -46.98 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -9.61 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -93.83 -44.15 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.5 -9.71 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.152 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.41 23.3 77.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 43.7 mt -109.94 131.56 21.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 46.2 Cg_exo -55.55 149.02 50.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.598 2.199 . . . . 0.0 112.291 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.23 -27.43 56.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.094 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.01 -15.54 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -120.73 13.64 11.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 30' ' ' ILE . 55.9 mt-30 -99.37 106.92 19.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 106.52 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 26' ' ' PHE . 6.0 mt -99.77 127.31 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.31 119.02 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -131.75 131.86 43.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.68 45.56 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 34.01 77.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.641 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.69 120.15 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.815 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -76.44 138.68 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -85.67 124.41 32.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' GLY . 87.7 mt-10 -106.59 143.73 34.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.887 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD1' HG12 ' A' ' 23' ' ' VAL . 24.9 m-20 -65.9 56.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.381 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.73 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.296 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -99.48 175.49 5.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.1 0.45 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.7 p -117.84 151.93 36.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.28 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 12.8 mt -46.4 -41.12 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.3 p -61.99 -35.01 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 -25.05 67.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -99.23 7.42 45.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 57.03 44.51 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 82.2 mt -83.06 133.92 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.9 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -99.38 177.72 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.982 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 1.8 mtmt -76.85 2.65 13.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.475 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -132.35 13.96 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.6 m -77.05 149.97 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -117.08 141.35 48.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 5' ' ' LEU . 36.0 mt -123.5 148.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 48.6 m-70 -99.73 128.07 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -103.39 125.19 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.6 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.187 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.63 -35.11 78.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.05 119.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 135.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 71.11 28.69 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -150.97 10.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.526 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -99.16 105.07 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.3 166.73 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -119.68 143.38 47.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -123.36 133.67 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.32 136.62 42.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -102.02 -175.98 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.4 mt -79.14 -9.28 59.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -102.19 -22.37 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.42 31.91 3.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 130.06 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.12 120.85 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 26.2 m -114.91 139.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.39 128.88 46.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mt -135.95 150.21 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.63 124.34 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.24 167.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 27.6 mt-10 -127.28 151.92 75.36 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.69 -29.61 80.69 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.222 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -84.53 4.34 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 47.6 m-20 -78.15 151.04 33.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.745 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 6.3 p -102.13 145.66 29.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 51' ' ' GLU . 44.5 t -45.05 -45.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.31 -38.52 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -49.38 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -64.17 -32.09 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.08 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -70.28 -40.69 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 96.0 mt -67.99 -43.8 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -45.62 -64.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.31 -12.55 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -89.34 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 10.1 mt-10 -99.82 22.92 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.3 62.23 1.12 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD12 HD21 ' A' ' 69' ' ' LEU . 2.8 mt -132.16 115.44 15.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.296 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.3 Cg_endo -64.12 134.33 42.17 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.684 2.256 . . . . 0.0 112.172 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 76.0 Cg_exo -49.98 -29.48 21.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.788 2.325 . . . . 0.0 112.389 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.68 -24.3 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -123.84 22.13 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.264 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 12.3 mt-30 -99.96 118.47 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.186 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HB3' HG23 ' A' ' 70' ' ' VAL . 16.1 ttt180 -119.0 106.48 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 44' ' ' ILE . 19.6 mt -103.1 112.41 25.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.56 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -110.32 124.2 66.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.25 132.14 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.59 32.97 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.93 19.67 79.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -126.89 130.72 50.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.03 98.47 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.3 mt -42.2 124.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 23' ' ' VAL . 23.8 mt-10 -99.89 149.74 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.07 -0.27 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.19 -12.63 23.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.198 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -105.39 172.3 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.035 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 68.4 p -121.0 153.8 36.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.6 mt -43.76 -38.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 p -61.07 -28.46 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -62.34 -32.61 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 27.5 m-85 -102.29 16.13 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t30 49.15 51.92 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -76.49 122.07 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' O ' ' OG ' ' A' ' 65' ' ' SER . 90.9 mm-40 -103.84 173.74 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 158.22 36.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.38 8.63 5.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 33.8 m -76.59 152.08 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -115.28 145.15 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.4 141.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -99.89 137.38 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 36' ' ' ILE . 9.6 tp -118.66 131.68 56.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.588 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -130.55 137.29 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -51.71 -27.44 11.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.08 0.467 . . . . 0.0 109.951 179.277 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 173.38 64.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.614 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER 68.2 162.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.433 ' N ' HD12 ' A' ' 73' ' ' LEU . 4.9 mtm-85 -76.6 -90.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.85 -170.2 13.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.587 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.44 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 1.7 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER -98.99 112.93 24.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.174 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.0 m -99.74 161.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -118.95 146.45 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' A' ' 13' ' ' VAL . 5.3 tp -131.94 142.01 49.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.86 144.52 39.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -103.64 -167.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.21 -6.28 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 -30.23 12.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.358 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 127.49 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.581 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' GLY . 4.1 ptmt -28.69 152.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.221 0.534 . . . . 0.0 112.319 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.19 126.71 54.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.869 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -107.0 141.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.282 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.35 106.05 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' GLU . 19.1 mt -117.37 158.8 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 6.4 tp10 -99.78 122.52 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.2 m -139.11 163.07 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 1.5 mp0 -110.26 145.8 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 49.7 Cg_exo -55.33 -34.54 89.03 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.647 2.231 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -85.45 17.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.374 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' A' ' 55' ' ' THR . 61.0 m-20 -86.63 157.16 19.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 55' ' ' THR . 8.4 p -101.8 153.51 19.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 53.0 t -55.28 -38.0 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.48 -43.28 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.614 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.4 -49.38 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.381 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.774 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.2 t80 -55.57 -39.96 71.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mttp -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.23 86.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 62.9 mttt -69.85 -50.53 41.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.672 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -52.73 -36.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.1 tt0 -61.8 -44.63 96.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -7.18 31.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -105.6 -49.2 3.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.127 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 69' ' ' LEU . 2.0 mt-10 -99.78 -17.75 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.249 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 69.19 61.71 4.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.619 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 34' ' ' GLU . 5.1 mt -137.05 130.95 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.92 127.97 19.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 0.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.4 -30.28 11.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.777 2.318 . . . . 0.0 112.287 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.62 -19.97 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' CD ' ' HA2' ' A' ' 75' ' ' GLY . 70.2 mt-30 -125.84 23.65 7.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 30.3 mt-30 -99.37 107.04 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.85 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -99.85 133.15 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 42' ' ' ARG . 25.5 mm -121.58 98.74 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -108.92 121.16 44.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.17 53.58 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.47 40.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 114.78 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.83 129.85 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -77.06 121.18 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 4.3 mm-40 -99.69 148.92 23.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-20 -72.53 3.37 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.766 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.37 -8.5 25.03 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -106.59 166.73 10.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.551 HG22 HG22 ' A' ' 22' ' ' THR . 6.1 p -116.69 169.67 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 61' ' ' ILE . 4.6 mt -61.05 -44.83 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -58.57 -32.55 69.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.27 -28.7 69.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -99.81 7.14 45.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.05 49.75 5.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 56' ' ' LEU . 58.1 mt -87.06 134.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.92 179.45 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 4.3 ptmm? -73.73 0.6 12.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.472 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -130.44 18.66 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.759 ' HB2' HG23 ' A' ' 61' ' ' ILE . 71.3 m -77.65 149.2 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 33.4 m -121.6 144.01 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.261 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.774 HD13 ' CE2' ' A' ' 26' ' ' PHE . 2.4 mp -124.43 148.74 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -101.41 133.84 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' OE2' ' A' ' 34' ' ' GLU . 19.9 tp -103.19 128.37 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -131.41 164.07 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -88.31 -38.02 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 36.1 ttt-85 86.57 -0.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 1.4 mp 68.69 165.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 41.94 93.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' ' CD ' ' A' ' 40' ' ' GLN . . . -60.6 -76.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.82 98.65 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' THR . 21.1 m -99.97 160.85 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 17.0 m-85 -112.91 139.2 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.843 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -118.85 133.63 55.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -105.53 135.32 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -102.37 -173.38 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.78 -8.44 58.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -101.06 -28.09 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.49 34.85 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -102.45 134.15 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.538 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 5.1 m -103.37 122.44 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 5' ' ' LEU . 5.1 m -114.53 134.99 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -103.65 108.61 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 29' ' ' LYS . 2.5 mt -112.31 151.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 1' ' ' MET . 9.9 pt-20 -99.88 126.15 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG21 ' CD1' ' A' ' 56' ' ' LEU . 3.4 m -141.09 168.77 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -113.16 143.32 28.99 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.69 -36.57 33.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.251 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.8 p -82.0 18.97 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.764 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 59.4 m-20 -87.27 145.81 26.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -95.84 158.3 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 51' ' ' GLU . 55.2 t -49.33 -44.75 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.991 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.61 -48.69 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.51 -47.43 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.26 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 14.0 mttt -60.99 -33.1 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.16 95.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.0 mttp -67.26 -39.38 86.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.56 -42.0 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' GLY . 26.2 tt0 -63.46 -35.0 79.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.68 -10.52 59.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -105.03 -43.18 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.49 -20.29 15.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.15 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 76.67 28.24 59.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.354 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mt -108.09 132.31 21.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_endo -66.55 139.51 53.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.2 Cg_exo -53.26 -24.81 28.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.782 2.321 . . . . 0.0 112.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.66 -23.12 58.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.5 mt-30 -120.9 15.83 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.095 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.7 mt-30 -99.68 110.75 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 ttm180 -114.39 115.2 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 50' ' ' LEU . 4.0 mt -102.7 128.07 49.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -118.41 106.42 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 61' ' ' ILE . 26.2 t80 -127.09 130.94 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.64 44.45 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.86 24.37 57.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.344 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.7 136.79 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -85.23 138.41 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 43' ' ' LEU . 4.7 mt -80.83 124.67 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.5 mt-10 -106.29 138.58 42.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.29 58.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -153.81 -27.94 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.952 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -100.01 -178.94 4.0 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.06 0.43 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.0 p -120.27 160.15 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' CD1' HG21 ' A' ' 17' ' ' VAL . 68.3 mt -52.2 -39.95 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -63.23 -29.02 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 63.9 m-20 -66.26 -26.5 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -99.21 11.77 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.44 42.85 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 62.8 mt -85.51 138.01 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.931 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' N ' ' OG ' ' A' ' 65' ' ' SER . 2.2 mt-30 -99.05 -179.39 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.025 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -77.65 3.73 13.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.812 -179.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.37 17.86 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.744 0.307 . . . . 0.0 111.336 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 62' ' ' GLN . 1.3 m -73.08 158.07 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.918 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' A' ' 67' ' ' ILE . 97.8 m -122.41 127.67 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.57 148.74 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.1 m170 -99.79 131.8 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 11.0 tp -109.15 134.5 51.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -131.1 125.22 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -53.34 -31.74 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 82.92 158.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.62 -165.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -168.17 75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.85 -86.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 2.9 tpt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.9 115.39 28.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.314 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.69 167.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.7 m-85 -119.93 140.99 50.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.991 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD22 HG12 ' A' ' 30' ' ' ILE . 28.0 tp -124.53 137.35 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -101.68 144.0 30.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -110.94 -179.99 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 71' ' ' LEU . 12.7 mt -64.85 -9.65 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -99.02 -26.09 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 115.96 -43.15 1.73 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.72 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -31.07 156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 112.146 -179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m -105.93 120.83 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.963 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.7 t -99.8 130.25 49.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.419 ' C ' HG13 ' A' ' 15' ' ' ILE . 26.2 m -101.0 122.34 43.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 14' ' ' THR . 9.2 mt -137.33 151.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 9.1 pt-20 -99.7 124.09 44.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 1' ' ' MET . 27.1 m -140.22 164.7 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.7 mt-10 -120.81 158.84 51.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.748 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 20.0 Cg_endo -60.8 -32.03 92.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.199 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.52 14.74 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 55' ' ' THR . 18.7 m-20 -87.23 149.59 24.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.3 p -99.44 150.48 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 18.5 t -53.78 -40.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.832 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 8.6 pt-20 -52.13 -44.54 64.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.21 -45.59 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 43' ' ' LEU . 2.4 t80 -53.62 -45.18 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.9 -34.0 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.38 -37.18 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.804 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 5' ' ' LEU . 95.8 mt -66.34 -36.66 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' GLY . 16.7 tt0 -65.88 -39.51 90.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -9.25 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.89 -42.33 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.116 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.37 -20.21 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.37 58.05 8.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -130.14 118.23 18.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.73 129.56 24.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.66 2.24 . . . . 0.0 112.254 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 73.6 Cg_exo -48.26 -27.97 10.47 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.243 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -16.99 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -124.16 12.09 8.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.9 mt-30 -99.58 106.72 18.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.035 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.85 120.39 41.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.768 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.9 mt -99.9 102.51 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 19.9 mm -99.67 110.9 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.247 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -133.26 131.36 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.728 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 43.97 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.01 32.34 70.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -139.5 133.54 31.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.541 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -87.12 96.34 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.5 mt -43.2 132.51 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 22.5 mm-40 -99.76 148.24 24.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 3.2 m-20 -72.64 2.3 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.625 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.9 -10.2 37.92 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.212 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -111.61 -176.93 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 21' ' ' ASP . 19.7 p -120.57 -178.93 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 61' ' ' ILE . 10.5 mt -73.69 -41.72 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 p -63.46 -29.04 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -61.03 -28.13 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' HD22 ' A' ' 50' ' ' LEU . 93.3 m-85 -100.69 13.32 35.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER 63.74 44.18 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 65' ' ' SER . 37.0 mt -83.69 131.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.2 mm-40 -99.25 177.54 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.84 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.87 -0.55 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.607 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.44 20.37 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.626 ' HB2' HG23 ' A' ' 61' ' ' ILE . 20.2 m -76.7 149.12 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.1 m -121.76 146.17 47.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.39 151.93 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.171 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 6.3 m170 -101.4 140.65 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -99.93 141.57 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.3 t -135.7 142.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.009 HD13 HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -83.18 -37.39 23.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 21.0 ttp180 67.57 150.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.43 169.56 8.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 124.1 28.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.568 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.455 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 13.2 ttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.83 107.68 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.68 162.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.4 m-85 -114.54 137.06 52.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -113.05 129.82 56.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 141.17 34.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -105.51 -175.44 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 70' ' ' VAL . 5.7 mt -79.97 -6.82 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -101.49 -24.25 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 126.88 -52.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -31.61 158.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.333 0.587 . . . . 0.0 112.191 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 11.3 m -133.49 139.42 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.041 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 5' ' ' LEU . 29.5 m -116.1 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.67 102.98 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.3 mt -111.03 149.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.268 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.55 125.5 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.7 m -140.54 164.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.7 mm-40 -119.85 145.24 39.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.724 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.91 -30.61 78.16 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.794 2.329 . . . . 0.0 112.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.74 5.58 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 61.5 m-20 -82.62 154.64 24.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 55' ' ' THR . 25.7 p -101.97 153.3 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.7 t -51.32 -41.52 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -51.08 -51.53 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.1 m-80 -59.75 -42.41 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.78 ' HE2' HD13 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -54.51 -49.64 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 4.3 mttp -64.51 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 35.4 mttm -68.74 -37.79 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 82.7 mt -64.21 -35.91 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -57.61 -40.47 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.725 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -11.35 28.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 2.3 mptt -94.8 -57.31 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.582 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -99.6 -19.56 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.275 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 73.66 38.62 50.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.296 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.702 HG21 HD11 ' A' ' 71' ' ' LEU . 26.0 mt -107.07 129.7 23.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.57 127.36 25.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.67 -32.01 27.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.775 2.317 . . . . 0.0 112.276 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -15.86 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 17.79 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 32.8 mt-30 -99.6 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.84 113.93 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 50' ' ' LEU . 32.8 mt -99.92 106.86 18.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 49' ' ' GLN . 6.5 mm -99.92 104.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -121.74 125.97 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.28 43.7 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.22 23.34 61.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.581 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.36 123.29 39.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.636 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.7 mt-30 -79.76 95.96 6.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 43' ' ' LEU . 1.9 mp -49.2 133.67 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.55 154.66 18.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 1.5 m-20 -72.43 1.33 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.493 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.6 -9.82 26.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.232 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -104.35 168.63 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.635 HG22 HG22 ' A' ' 22' ' ' THR . 27.4 p -117.82 172.57 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.7 mt -62.17 -41.9 98.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -60.53 -27.11 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 55' ' ' THR . 6.7 m-20 -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 78.6 m-85 -99.84 15.1 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 49.51 50.45 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 56' ' ' LEU . 56.1 mt -84.3 134.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -121.82 177.39 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 158.67 32.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.76 6.6 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 m -76.79 147.6 37.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.811 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.5 m -117.19 131.46 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.78 HD13 ' HE2' ' A' ' 26' ' ' PHE . 4.2 mt -121.02 147.67 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -99.97 138.0 37.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -115.9 119.54 36.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -117.34 141.42 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.232 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.07 139.87 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -113.69 86.78 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.028 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 71' ' ' LEU . 2.1 mt -108.16 84.71 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.7 ttt180 85.15 58.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.74 137.53 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.523 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' SD ' HG23 ' A' ' 17' ' ' VAL . 3.8 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.11 107.66 20.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.431 HG13 ' HG3' ' A' ' 1' ' ' MET . 15.5 m -113.29 168.76 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.011 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 2.0 m-85 -121.79 152.38 39.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.38 137.35 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 142.15 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.0 p -104.04 177.6 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 71' ' ' LEU . 9.9 mt -75.93 -10.45 59.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -99.49 -16.73 18.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.336 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.42 27.91 7.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -97.61 131.29 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.721 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -99.65 121.35 41.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 13.3 m -111.48 162.57 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.79 98.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.252 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' A' ' 33' ' ' LYS . 4.8 mm -99.9 133.69 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.57 129.71 45.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 56' ' ' LEU . 3.9 m -141.39 172.61 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.3 mm-40 -126.38 131.42 23.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 20' ' ' SER . 75.6 Cg_exo -49.94 87.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.035 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 153.42 -6.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.862 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.4 m-20 -71.37 158.25 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.665 ' HA ' HG22 ' A' ' 55' ' ' THR . 37.8 p -94.47 144.22 25.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 54' ' ' ARG . 50.9 t -45.37 -44.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -50.58 62.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.92 -41.73 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.37 -46.41 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -61.21 -33.55 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.41 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.6 mtpt -66.02 -42.63 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.695 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.84 -35.8 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 35' ' ' GLY . 17.5 tt0 -59.37 -45.67 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 8.8 p30 -62.95 -12.23 24.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 15' ' ' ILE . 3.8 mtpm? -99.4 -57.07 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.288 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -99.86 -25.87 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.79 68.2 1.58 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -137.05 121.3 12.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.41 132.67 24.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.746 2.297 . . . . 0.0 112.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.1 -39.75 60.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.765 2.31 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.93 -14.77 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 23.9 mt-30 -118.61 10.27 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -99.88 114.06 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -114.1 114.34 25.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.65 128.69 46.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.47 108.58 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 66' ' ' THR . 3.4 t80 -131.2 131.6 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.04 42.31 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 24.19 53.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -133.43 134.5 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.82 138.51 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 7.2 mp -90.65 131.12 36.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mm-40 -105.44 160.32 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 2.49 6.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.529 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.37 -6.08 33.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.209 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -108.57 173.42 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.004 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 22' ' ' THR . 47.3 p -122.28 -173.78 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 61' ' ' ILE . 18.9 mt -76.03 -45.93 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.816 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 p -62.47 -26.86 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -64.55 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 84.6 m-85 -99.8 16.41 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER 53.44 46.42 26.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.4 mt -80.27 127.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -122.31 -177.39 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -66.02 152.79 43.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.42 15.27 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -82.02 137.15 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.513 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 40.4 m -116.67 133.32 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.163 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.1 mp -120.36 145.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -103.98 131.13 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.08 142.4 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.427 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.83 157.86 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.041 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -81.83 123.85 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 3.8 ttm-85 -104.45 147.96 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.93 160.86 14.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -23.36 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.0 90.26 2.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.77 113.61 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.58 171.82 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HB2' HG23 ' A' ' 66' ' ' THR . 3.4 m-85 -124.42 150.06 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -127.47 135.46 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -105.91 140.55 38.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.1 p -99.76 -179.53 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.03 -8.67 59.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -99.22 -11.17 21.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.4 23.97 15.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -96.68 131.6 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -99.8 119.42 38.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 5.5 m -111.63 150.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.59 127.71 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.321 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.4 mt -132.75 145.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 111.105 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.13 171.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.708 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -133.98 143.94 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 20' ' ' SER . 18.7 Cg_endo -58.09 86.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 111.822 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.3 p 154.91 -8.17 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.863 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -68.84 156.98 37.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.313 . . . . 0.0 110.729 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 55' ' ' THR . 18.6 p -101.1 153.82 19.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 111.321 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG12 ' HD2' ' A' ' 27' ' ' LYS . 52.3 t -49.91 -45.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.66 -50.62 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.777 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 m-20 -58.92 -43.34 91.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.81 -55.45 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.747 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG12 ' A' ' 23' ' ' VAL . 3.9 mttt -60.05 -27.36 66.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -65.68 -41.75 92.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -71.42 -40.11 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 26' ' ' PHE . 8.4 mt -60.44 -37.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 tt0 -65.01 -35.61 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.88 -11.48 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -103.49 -50.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.12 -25.67 14.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.818 0.342 . . . . 0.0 111.299 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 80.17 33.16 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -99.86 125.48 40.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.2 Cg_exo -55.02 135.17 67.6 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.238 . . . . 0.0 112.227 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.19 -39.36 86.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.221 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -17.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -115.02 10.08 16.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -99.93 114.33 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.022 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -112.59 112.68 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.752 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.54 122.84 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.96 120.01 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 95.09 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.33 42.19 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.66 -4.84 77.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -94.59 98.79 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -69.92 93.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 23' ' ' VAL . 8.2 mt -44.9 126.77 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 16.9 mt-10 -103.86 142.64 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.6 m-20 -65.77 57.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.22 -26.27 0.03 OUTLIER Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.25 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -178.31 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 117.051 0.425 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.581 HG22 HG22 ' A' ' 22' ' ' THR . 12.5 p -122.49 164.38 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.21 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.932 HD22 HD12 ' A' ' 61' ' ' ILE . 23.8 mt -56.0 -44.0 78.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -56.32 -32.08 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -66.64 -29.2 69.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -99.62 13.07 34.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 56.7 43.16 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.932 HD12 HD22 ' A' ' 56' ' ' LEU . 3.9 mt -73.99 113.99 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.87 172.73 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.15 150.68 33.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 71.78 16.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -86.75 137.78 32.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.79 HG23 ' HB2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -116.38 134.53 54.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.41 146.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.589 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.85 130.01 46.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.6 tp -100.61 140.22 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.15 145.55 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 111.245 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -78.26 131.64 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -114.05 68.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 73' ' ' LEU . 6.0 tt -97.76 -5.25 35.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 63.07 102.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.02 103.17 1.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.438 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.531 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.787 ' HE3' HG22 ' A' ' 61' ' ' ILE . 17.0 ptt? . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.0 tt0 -98.58 156.3 16.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.25 171.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.243 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 5.9 m-85 -120.55 128.96 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -109.95 132.84 53.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.734 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -102.37 142.22 33.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -99.91 178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.925 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -69.33 -8.28 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -112.72 -24.83 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 137.24 -55.53 0.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' GLY . 1.3 ttmt -12.24 129.49 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -113.2 127.79 56.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 18.0 m -114.12 150.98 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.67 103.5 12.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.29 144.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.3 128.66 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 56' ' ' LEU . 3.0 m -140.42 168.45 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 mt-10 -116.88 125.09 28.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.5 Cg_exo -48.88 86.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.621 2.214 . . . . 0.0 111.956 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 3.9 p 152.28 -5.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 55' ' ' THR . 7.4 m-20 -68.23 165.5 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.716 0.293 . . . . 0.0 110.762 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 p -102.0 153.91 19.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.898 0.38 . . . . 0.0 111.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.7 t -50.02 -40.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.31 -54.13 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.2 -47.23 72.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -52.86 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.782 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 47.6 mtpt -55.77 -33.15 64.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.21 79.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . 4.8 mttp -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.9 -38.92 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.2 tt0 -60.17 -44.02 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' OD2' ' HA ' ' A' ' 29' ' ' LYS . 8.3 p30 -65.74 -9.1 25.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.04 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -103.3 -55.39 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -100.0 -26.02 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.53 65.66 2.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.501 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mt -122.57 123.47 26.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.67 122.08 9.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.616 2.211 . . . . 0.0 112.114 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 74.8 Cg_exo -48.25 -31.11 16.28 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.73 2.287 . . . . 0.0 112.227 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' OD2' ' OE1' ' A' ' 40' ' ' GLN . 24.6 t70 -56.77 -17.48 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -126.82 24.01 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.36 107.1 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.36 101.24 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 69' ' ' LEU . 14.1 mt -99.81 127.95 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 131.45 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.218 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -117.1 84.19 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 45.56 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.35 -13.11 67.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 96.83 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 132.49 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.3 mp -79.94 120.28 23.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLY . 3.8 mt-10 -103.52 139.3 39.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 52.6 m-20 -65.6 57.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -155.25 -26.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.027 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.46 -178.04 3.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.985 0.393 . . . . 0.0 111.05 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 1.5 p -115.3 173.46 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' A' ' 61' ' ' ILE . 19.0 mt -67.16 -39.13 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.752 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -62.18 -25.48 67.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 56.9 m-20 -66.79 -28.54 68.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.772 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -99.79 5.93 45.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m120 62.8 45.36 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.787 HG22 ' HE3' ' A' ' 1' ' ' MET . 35.8 mt -80.22 122.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.35 179.83 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -73.81 1.34 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.626 -179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.59 19.83 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -81.83 149.54 28.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.671 ' C ' HD12 ' A' ' 67' ' ' ILE . 95.5 m -117.19 154.47 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 66' ' ' THR . 4.3 mp -139.5 144.37 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -99.64 124.38 44.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 43' ' ' LEU . 18.3 tp -101.42 135.47 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -133.18 131.95 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 4.9 mt -65.63 -32.47 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.58 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 2.4 ttt-85 97.73 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tp 76.32 23.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 52.23 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.29 71.69 0.44 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.73 114.24 26.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -99.74 172.44 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 m-85 -124.1 136.37 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 tp -115.91 132.96 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.487 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.88 144.25 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -101.97 -172.43 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 70' ' ' VAL . 9.6 mt -76.44 -4.8 44.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -103.25 -20.31 14.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 32.24 5.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -95.53 139.73 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -100.4 117.28 34.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -110.83 147.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.45 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -103.14 122.13 44.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.338 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.28 147.31 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.92 126.5 48.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 164.23 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -123.25 149.54 57.89 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -54.72 -29.18 60.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.606 2.204 . . . . 0.0 112.223 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 p -82.19 9.29 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 84.4 m-20 -89.52 142.64 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 54' ' ' ARG . 1.1 p -97.7 155.3 17.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' CZ ' ' A' ' 54' ' ' ARG . 37.9 t -43.48 -42.53 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.0 pt-20 -56.37 -51.24 69.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.4 t-20 -52.26 -49.69 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.796 ' CD2' HD13 ' A' ' 43' ' ' LEU . 4.4 t80 -53.14 -44.02 67.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.631 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -62.55 -31.0 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.39 80.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.697 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 43' ' ' LEU . 80.0 mt -59.07 -38.06 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.6 tt0 -54.67 -48.73 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.8 63.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -97.45 -50.28 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.73 -20.18 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.466 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 67.38 41.99 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.301 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 HD21 ' A' ' 71' ' ' LEU . 20.0 mt -120.06 123.15 28.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.09 134.87 57.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 75.0 Cg_exo -50.89 -29.57 27.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.56 -24.48 47.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.1 17.62 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.035 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 33.4 mt-30 -99.59 136.89 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -135.4 102.07 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' A' ' 26' ' ' PHE . 22.3 mt -99.82 110.68 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 44' ' ' ILE . 2.7 mp -114.1 128.43 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 61' ' ' ILE . 18.9 t80 -136.37 133.67 37.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.35 42.84 26.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.24 29.34 68.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 124.75 29.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.1 129.61 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . 9.0 mp -74.24 120.57 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.4 mt-10 -99.83 129.12 45.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.678 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -64.91 59.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -156.01 -29.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.983 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.668 ' CZ ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.58 177.25 5.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 117.027 0.413 . . . . 0.0 111.097 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 71.0 p -114.31 162.01 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.061 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -51.39 -37.02 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 p -61.59 -23.77 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' ARG . 3.6 m-20 -72.71 -29.98 63.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 54' ' ' ARG . 5.8 m-30 -98.59 19.14 15.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.722 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.39 42.65 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 45' ' ' PHE . 95.3 mt -81.42 129.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.204 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -109.89 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 158.79 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.808 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 65.61 9.05 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -78.23 152.72 32.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.9 m -116.66 155.02 29.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.9 mt -139.8 150.83 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -99.9 136.32 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.81 129.14 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.669 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.4 158.51 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -92.96 -40.16 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.6 ttt180 83.84 109.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.05 53.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -154.87 105.57 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.17 36.71 29.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.483 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . 4.3 ptt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' OE1' HG22 ' A' ' 14' ' ' THR . 1.2 mm-40 -99.19 157.7 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -140.39 165.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.202 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -117.82 132.14 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -111.49 130.72 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 5.9 mtpm? -101.26 149.31 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.634 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.33 -176.93 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 111.385 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 69' ' ' LEU . 5.7 mt -80.27 -5.62 56.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -103.58 -28.8 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.0 35.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.597 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 141.99 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -112.67 123.42 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 21.6 m -113.16 151.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.12 125.49 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.65 147.22 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.997 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -99.75 123.67 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 1' ' ' MET . 13.9 m -140.29 165.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.5 mt-10 -116.05 150.27 44.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 50.0 Cg_exo -53.27 -32.85 62.77 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.782 2.321 . . . . 0.0 112.221 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -84.98 19.5 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 9.2 m-20 -87.17 146.06 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.692 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -97.19 147.64 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 51' ' ' GLU . 54.7 t -43.34 -41.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.2 mp0 -58.55 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 t30 -46.06 -34.28 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -45.28 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 41' ' ' GLN . 16.9 mtpt -59.57 -33.56 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.49 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mttm -58.27 -38.5 77.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.634 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' HB ' ' OE1' ' A' ' 41' ' ' GLN . 8.9 mt -73.39 -35.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 35' ' ' GLY . 20.7 tm0? -61.1 -45.33 95.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -8.85 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -43.43 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 4.5 mm-40 -99.86 -12.31 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 62.43 54.01 37.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.6 mt -134.49 128.98 19.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.081 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -56.83 134.69 66.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.758 2.306 . . . . 0.0 112.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 54.7 Cg_exo -51.8 -33.08 48.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.734 2.289 . . . . 0.0 112.154 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' A' ' 40' ' ' GLN . 3.7 p30 -61.11 -16.38 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 24.4 mt-30 -118.3 7.95 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 22.2 mt-30 -99.88 111.06 23.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.733 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.22 117.83 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -101.4 131.11 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.263 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 43' ' ' LEU . 32.0 mm -123.2 107.96 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' ILE . 10.4 t80 -126.41 132.44 51.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.104 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 49.49 50.54 18.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.35 19.58 4.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.382 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 12.8 mttt -124.91 122.36 37.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 134.17 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 8.7 mp -80.1 121.77 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . 5.0 mt-10 -102.78 154.73 18.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 24' ' ' GLU . 1.7 m-20 -73.56 4.37 5.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.647 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.88 -8.39 27.96 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.12 173.41 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.7 p -126.94 158.54 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' HD12 ' A' ' 61' ' ' ILE . 7.5 mt -47.45 -46.6 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 p -56.18 -38.98 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.679 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 36.3 m-20 -60.67 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -99.87 3.9 44.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.39 48.45 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 56' ' ' LEU . 52.4 mt -83.66 125.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -99.77 176.74 5.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.1 ptmt -72.88 -0.81 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.382 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.95 16.1 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' ILE . 29.5 m -78.83 150.06 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 67' ' ' ILE . 39.8 m -120.29 152.99 37.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.9 mp -138.16 151.03 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 6' ' ' LYS . 3.5 m-70 -104.4 132.27 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' O ' HD21 ' A' ' 8' ' ' LEU . 9.7 tp -101.23 138.96 37.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -126.23 130.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.61 -30.96 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.69 87.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tp -158.97 101.17 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.6 -48.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.27 -151.12 17.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 2.7 ptt? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -99.67 160.83 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 15' ' ' ILE . 27.9 m -140.05 161.12 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.194 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 66' ' ' THR . 19.3 m-85 -116.25 115.67 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 30' ' ' ILE . 12.6 tp -114.93 136.68 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 154.45 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.776 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.62 -172.41 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 70' ' ' VAL . 16.7 mt -79.27 -6.77 57.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -100.42 -30.65 11.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 36.82 1.72 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 152.84 21.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -99.72 109.03 21.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' LEU . 1.4 t -102.31 121.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.95 128.46 46.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' HG22 ' A' ' 3' ' ' VAL . 10.5 mt -135.11 147.48 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -99.63 122.11 42.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.38 164.58 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 48.8 mm-40 -113.11 149.25 41.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 -32.16 49.62 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.9 p -88.77 22.8 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 55' ' ' THR . 19.0 m-20 -93.77 154.71 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 55' ' ' THR . 43.2 p -100.1 151.44 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.4 t -54.08 -33.17 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.81 -53.73 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.52 -38.03 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.48 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.27 -41.13 97.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -66.07 -29.3 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.4 -42.44 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 8.9 mttm -66.44 -37.97 86.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.612 HG12 HD22 ' A' ' 5' ' ' LEU . 45.9 mt -69.1 -33.25 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 35' ' ' GLY . 6.3 tt0 -66.73 -38.81 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -40.62 85.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -78.71 -41.29 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.776 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 60.8 mm-40 -99.84 0.85 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 48.17 47.53 27.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.392 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 2.1 mt -129.13 121.98 20.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.279 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.3 Cg_exo -57.76 130.52 38.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 0.0 112.078 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 51.3 Cg_exo -53.1 -32.79 60.66 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.739 2.293 . . . . 0.0 112.526 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.34 -22.27 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' LEU . 31.3 mt-30 -116.66 17.6 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -99.66 139.48 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -140.17 106.66 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 5' ' ' LEU . 31.4 mt -99.98 116.98 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -110.56 105.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -112.49 124.64 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 46.3 50.79 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.24 28.47 61.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 83.4 mttt -127.07 105.48 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.83 96.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -47.86 126.68 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.2 mm-40 -104.49 154.65 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -71.52 0.18 9.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.481 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.89 -15.68 23.58 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.216 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -100.04 172.0 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 22' ' ' THR . 24.3 p -123.18 176.13 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 61' ' ' ILE . 25.9 mt -62.79 -51.06 68.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -58.64 -30.45 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.744 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.45 -30.08 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 62.2 m-85 -100.09 8.53 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m120 58.52 51.96 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -86.81 133.79 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -99.77 174.79 6.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -74.31 -0.35 16.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.62 9.69 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 61' ' ' ILE . 57.2 m -64.48 154.13 36.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 13.8 m -120.66 145.77 47.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.41 ' HB ' HD12 ' A' ' 5' ' ' LEU . 2.5 mp -137.86 149.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -103.42 129.68 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -100.95 132.18 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -132.45 146.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -64.25 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 71' ' ' LEU . 22.8 ttt-85 55.83 154.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . 2.7 tm? 54.71 115.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 -38.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' OXT' ' A' ' 76' ' ' GLY . . . 99.36 148.04 22.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.516 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' OXT' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 108.32 20.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' THR . 34.2 m -102.28 173.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD2' ' CG2' ' A' ' 14' ' ' THR . 12.0 m-85 -127.89 133.75 49.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.43 134.51 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.691 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -104.66 142.07 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -99.82 178.43 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.7 -8.11 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -109.48 -24.55 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 131.22 -57.28 0.73 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 10' ' ' GLY . 58.6 tttp -10.31 126.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -101.58 123.43 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 14.6 m -117.44 137.39 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.495 ' CG2' ' CD2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -105.43 136.47 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.09 150.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.87 127.83 46.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 m -141.3 171.63 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 41.4 mm-40 -134.26 134.29 22.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 20' ' ' SER . 76.0 Cg_exo -48.78 89.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.574 2.183 . . . . 0.0 111.761 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.8 p 153.62 -7.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.646 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.1 m-20 -74.16 158.25 34.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.673 0.273 . . . . 0.0 110.443 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 55' ' ' THR . 11.4 p -104.1 146.03 29.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.649 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 26' ' ' PHE . 79.9 t -44.27 -40.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.849 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.34 -60.66 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -56.93 -33.64 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 30' ' ' ILE . 1.2 t80 -59.9 -46.37 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.488 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 2.3 mtpp -68.04 -31.43 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.92 -41.87 77.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -66.39 -44.43 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 26' ' ' PHE . 88.7 mt -62.27 -37.01 77.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.0 tt0 -59.78 -42.13 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.52 -13.85 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -104.07 -40.92 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 90.5 mt-10 -99.99 -15.33 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 70.66 18.6 75.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.97 132.58 22.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 34.7 Cg_endo -64.89 128.86 21.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.773 2.315 . . . . 0.0 112.226 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.99 -36.14 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -53.94 -21.45 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' OD1' ' A' ' 39' ' ' ASP . 34.1 mt-30 -120.42 23.1 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 36.1 mt-30 -103.57 113.75 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 ttt85 -108.28 111.29 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 59.9 mt -107.04 125.76 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -124.16 126.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 64.9 t80 -122.58 128.3 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.43 50.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.11 97.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 37.9 mttt -147.01 117.3 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 126.44 29.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.5 mp -76.73 123.43 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.9 mm-40 -102.47 134.55 45.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.43 59.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -157.66 -26.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.997 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -99.67 -179.62 4.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.916 0.358 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 22' ' ' THR . 35.6 p -124.45 152.21 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.304 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 17' ' ' VAL . 31.5 mt -42.59 -35.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.602 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' THR . 40.3 m-20 -63.66 -28.17 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.26 16.25 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.646 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 44.23 45.38 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 56' ' ' LEU . 28.7 mt -80.35 135.43 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.08 170.07 8.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.45 154.97 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.949 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 63.3 mt-10 68.82 15.46 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -82.04 145.02 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' PHE . 6.3 m -115.67 151.51 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.92 145.44 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.9 m170 -99.8 137.43 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 22.2 tp -110.72 138.92 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -133.06 150.45 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 134.42 33.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -135.56 155.1 51.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -111.23 127.75 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -51.01 65.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.21 163.27 10.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.443 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 3.4 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 63' ' ' LYS . 3.4 mm-40 -99.2 149.73 22.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 15' ' ' ILE . 30.9 m -140.25 173.8 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' HG23 ' A' ' 66' ' ' THR . 10.1 m-85 -124.82 156.91 37.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.647 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -139.0 143.29 38.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HE3' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -108.87 136.82 47.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -99.75 -179.54 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.178 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.79 -13.86 60.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -99.82 -27.84 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 134.64 -54.93 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 34.0 ttpt -25.81 147.63 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 112.144 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.474 ' OG1' ' HE3' ' A' ' 6' ' ' LYS . 32.8 m -121.63 131.26 54.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.942 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 5' ' ' LEU . 35.3 m -110.78 161.37 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -118.17 127.64 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.795 ' O ' HG22 ' A' ' 3' ' ' VAL . 12.9 mm -128.02 139.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.809 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 5.9 pm0 -99.43 129.03 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.16 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.6 m -140.79 173.83 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 13.7 mm-40 -129.63 133.62 25.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 20' ' ' SER . 73.7 Cg_exo -47.89 89.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.771 2.314 . . . . 0.0 112.241 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.8 p 151.59 -1.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.961 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' THR . 4.5 m-20 -72.57 167.7 20.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -108.29 138.48 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.19 -43.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 1.2 tt0 -53.64 -52.11 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.38 -48.5 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 67' ' ' ILE . 5.8 t80 -52.04 -39.34 59.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -69.2 -35.33 76.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.06 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -70.8 -53.46 15.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.758 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 11.3 mt -55.06 -43.38 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' GLY . 30.4 tt0 -46.86 -67.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -46.24 -32.07 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.24 -75.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.0 mt-10 -99.89 30.0 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 38.1 74.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.797 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.6 mm -134.18 116.52 13.27 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 26.4 Cg_exo -62.35 138.52 71.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.795 2.33 . . . . 0.0 112.236 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 66.0 Cg_exo -51.0 -43.93 45.01 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.92 -15.05 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -123.86 41.74 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.76 117.49 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.31 109.2 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.197 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.6 mt -102.45 106.76 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 9.5 mm -100.36 119.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.284 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.582 ' HB2' HD11 ' A' ' 50' ' ' LEU . 42.3 t80 -131.27 134.73 46.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.742 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.54 52.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.09 49.52 49.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.289 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.57 108.36 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.47 92.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.759 HD23 ' CE2' ' A' ' 59' ' ' TYR . 1.3 mt -45.55 128.52 8.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' GLY . 40.0 mm-40 -111.81 145.42 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.686 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 28.3 m-20 -65.51 55.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -148.59 -27.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.806 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -99.49 178.13 4.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.84 0.353 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 p -117.06 156.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.258 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -46.86 -49.76 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.671 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 p -56.84 -32.88 66.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 96.8 m-20 -64.95 -25.47 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.759 ' CE2' HD23 ' A' ' 50' ' ' LEU . 83.0 m-85 -99.57 -8.88 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.989 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.0 t-20 78.77 45.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 56' ' ' LEU . 31.6 mt -84.79 120.82 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.72 -178.7 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -78.54 3.9 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -132.65 16.64 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.785 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -82.89 154.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.845 HG23 ' HB2' ' A' ' 4' ' ' PHE . 7.9 m -127.08 127.78 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.356 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.769 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.4 mt -107.96 157.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.816 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 67' ' ' ILE . 11.8 m-70 -122.05 138.36 54.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.18 141.95 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -134.78 147.71 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.651 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -92.47 120.14 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.647 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.0 145.94 27.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.137 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -167.04 -169.6 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 14.6 ttt180 77.75 102.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -58.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.476 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' CB ' ' A' ' 63' ' ' LYS . 4.4 ptt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -98.97 123.49 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.38 165.29 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.965 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 24.3 m-85 -119.48 126.83 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD22 HG12 ' A' ' 30' ' ' ILE . 2.6 tp -117.99 138.22 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -110.15 143.47 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -99.78 -176.54 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 70' ' ' VAL . 57.9 mt -71.43 -9.56 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -100.27 -24.47 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 123.6 -53.73 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 10' ' ' GLY . 54.5 tttt -20.02 139.43 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -105.11 125.53 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -108.19 150.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.65 99.97 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.2 mt -106.67 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 129.29 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.56 171.14 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -135.01 141.2 37.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 20' ' ' SER . 12.6 Cg_endo -56.13 91.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.774 2.316 . . . . 0.0 111.862 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.7 p 151.91 -7.67 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' O ' ' HB ' ' A' ' 55' ' ' THR . 5.0 m-20 -72.21 158.69 35.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.569 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.6 p -93.25 140.25 29.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 51' ' ' GLU . 86.6 t -43.09 -41.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -56.69 -56.8 16.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.75 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.0 m-20 -49.65 -43.51 47.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 67' ' ' ILE . 2.1 t80 -54.86 -54.69 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -59.36 -26.94 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -67.96 -40.63 83.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 26.6 mttt -68.66 -41.17 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.936 HG12 HD22 ' A' ' 5' ' ' LEU . 13.6 mt -62.94 -35.17 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.1 tm0? -60.86 -41.37 95.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -70.16 -13.22 62.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -104.52 -38.52 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.6 -14.36 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 71.11 21.84 78.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt -112.32 135.96 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 36' ' ' ILE . 41.6 Cg_endo -67.69 153.18 76.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.759 2.306 . . . . 0.0 112.295 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 27.8 Cg_endo -62.69 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -61.8 -24.42 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -110.86 13.54 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 31.6 mt-30 -99.81 139.79 34.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -135.73 109.19 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 50' ' ' LEU . 12.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.234 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.57 114.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.953 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.75 132.27 43.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . 53.18 43.28 31.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.21 15.88 46.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.412 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 3.9 mtmt -124.05 137.1 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -88.6 141.64 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 43' ' ' LEU . 14.9 mt -85.94 127.4 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.595 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.4 mt-10 -99.63 147.73 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.95 -1.01 10.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.4 -15.83 24.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.206 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 mmp_? -104.49 178.74 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.4 p -122.9 -175.94 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.45 -42.79 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -61.6 -23.86 66.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.22 -33.73 75.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -99.97 16.52 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.9 50.03 18.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.61 123.88 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -107.71 173.15 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -71.28 158.76 35.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.979 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.7 mm-40 67.67 6.7 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -76.45 149.15 36.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.78 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 24.0 m -117.22 138.34 51.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.184 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CE2' ' A' ' 26' ' ' PHE . 3.0 mt -123.38 146.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -99.95 127.94 46.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.984 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.34 133.41 44.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.74 164.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -91.83 127.93 37.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -107.06 125.8 51.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -161.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.98 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.19 -116.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 4.5 pp0? -99.25 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 15' ' ' ILE . 17.2 m -99.87 169.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.997 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 42.2 m-85 -119.44 142.17 48.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -125.05 134.23 52.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.71 134.74 45.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -104.27 179.24 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD11 HD23 ' A' ' 71' ' ' LEU . 7.4 mt -68.58 -11.02 59.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -99.63 -23.39 15.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 119.88 -52.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.618 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 5.4 ttpt -25.15 147.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.231 0.538 . . . . 0.0 112.386 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -114.3 130.16 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.049 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 17.9 m -116.92 143.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.387 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 5.4 p -100.82 129.13 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HD2' ' A' ' 33' ' ' LYS . 2.1 mm -132.59 143.31 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt-10 -99.6 125.96 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 1' ' ' MET . 4.5 m -140.73 166.34 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 3.1 mp0 -113.35 146.89 36.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.9 -37.24 55.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.622 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -84.11 19.08 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.656 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 33.5 m-20 -81.18 148.3 29.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.809 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -104.81 144.29 31.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 87.3 t -41.51 -46.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 25' ' ' ASN . 21.5 pt-20 -52.29 -52.5 52.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 4.4 m-20 -59.41 -45.2 92.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' HG13 ' A' ' 30' ' ' ILE . 1.1 t80 -53.02 -50.36 64.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 30.7 mtpt -62.74 -31.31 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -69.04 -48.91 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.63 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 26' ' ' PHE . 18.8 mt -52.05 -38.84 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' GLY . 10.7 tt0 -59.39 -41.98 90.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.02 -10.39 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -102.04 -50.09 3.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.297 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -99.91 -21.58 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.284 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 77.05 26.8 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.406 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.04 123.4 42.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.6 Cg_exo -55.45 143.36 77.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.707 2.271 . . . . 0.0 112.276 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 53.0 Cg_exo -54.94 -31.03 71.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.212 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.38 -18.92 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -118.61 10.06 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 23.0 mt-30 -99.9 109.21 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.551 ' NE ' HD11 ' A' ' 44' ' ' ILE . 5.1 ttt-85 -109.13 113.01 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.954 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.6 mt -99.64 109.32 21.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' NE ' ' A' ' 42' ' ' ARG . 7.1 mm -110.45 129.58 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.796 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ALA . 16.7 t80 -139.82 136.57 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 111.154 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 37.23 40.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.242 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 -42.23 2.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.804 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 127.15 31.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.99 141.03 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 43' ' ' LEU . 9.6 mt -87.06 126.62 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 41.9 mt-10 -109.81 146.13 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 5.2 m-20 -65.22 56.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -151.99 -28.91 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.915 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -101.69 -172.55 2.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.947 0.374 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 26.2 p -123.86 165.51 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.0 mt -55.65 -43.33 76.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 p -62.75 -27.69 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' THR . 59.0 m-20 -65.53 -26.26 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 50' ' ' LEU . 74.9 m-85 -99.68 6.54 45.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.23 41.27 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 ' HB2' ' A' ' 65' ' ' SER . 64.2 mt -84.79 132.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.16 -179.43 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -73.79 0.83 11.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.532 -179.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -134.88 21.99 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.737 ' HB2' HG23 ' A' ' 61' ' ' ILE . 58.2 m -73.99 150.3 40.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.69 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.702 ' C ' HD12 ' A' ' 67' ' ' ILE . 35.0 m -119.62 129.33 54.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.3 mp -116.67 150.48 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -105.09 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 43' ' ' LEU . 17.7 tp -99.89 131.63 45.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.87 132.65 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -47.61 -25.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.53 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.7 tp 173.58 128.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 9.6 ttp180 84.61 -65.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.35 -98.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.575 ' SD ' HG23 ' A' ' 17' ' ' VAL . 4.6 ttm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.94 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.84 160.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 8.3 m-85 -114.27 137.41 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.553 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -114.64 132.77 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.993 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -99.84 148.81 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -113.4 -179.03 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.19 -6.76 58.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -99.66 -22.91 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.36 32.36 3.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -104.5 152.07 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -120.21 125.98 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 22.1 m -113.71 159.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -120.66 104.24 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.343 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mt -109.29 144.28 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.64 128.44 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 56' ' ' LEU . 2.9 m -140.82 166.76 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 mp0 -103.36 118.37 57.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' O ' ' CB ' ' A' ' 20' ' ' SER . 71.7 Cg_exo -49.96 91.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.58 2.187 . . . . 0.0 112.065 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 12.2 p 144.86 -0.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.552 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 55' ' ' THR . 10.0 m-20 -73.76 166.24 23.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.703 0.287 . . . . 0.0 110.753 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 57.5 p -91.52 145.97 24.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.303 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 51' ' ' GLU . 33.1 t -50.52 -37.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 24.7 pt-20 -54.01 -50.92 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 8.7 m-80 -58.83 -44.05 90.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.22 -50.05 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 43' ' ' LEU . 3.5 mtmm -58.38 -33.28 69.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.91 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -67.28 -40.93 86.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 27' ' ' LYS . 16.0 mt -66.84 -35.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.038 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.42 -44.61 92.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -9.4 10.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -95.93 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' ILE . 48.8 mm-40 -109.17 31.36 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.422 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' GLU . . . 32.69 73.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.893 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' GLU . 5.3 mt -133.17 109.18 12.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 40.5 Cg_exo -57.1 136.79 78.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.763 2.309 . . . . 0.0 112.245 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 50.1 Cg_exo -53.24 -33.23 64.13 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.717 2.278 . . . . 0.0 112.242 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -21.58 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' PRO . 2.5 pt20 -118.15 16.56 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 32.4 mt-30 -99.57 139.83 34.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.6 ttt180 -140.47 105.89 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 27' ' ' LYS . 17.9 mt -101.96 124.23 47.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' HE ' ' A' ' 42' ' ' ARG . 4.6 mm -115.24 102.33 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.848 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.5 t80 -107.81 127.86 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.74 53.14 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.18 28.38 33.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.92 130.94 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 134.28 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.782 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -85.97 127.65 34.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 23' ' ' VAL . 74.4 mt-10 -101.6 155.85 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.29 2.49 7.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.529 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.53 -5.22 36.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.083 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -108.93 175.21 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 7.8 p -124.22 170.91 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 17' ' ' VAL . 3.1 mt -62.03 -47.93 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -63.64 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.6 -26.9 68.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -99.54 15.59 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.03 43.39 24.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' HB2' ' A' ' 65' ' ' SER . 54.6 mt -83.26 134.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.4 176.61 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.7 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -73.48 0.26 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.53 -179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -133.1 15.33 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 61' ' ' ILE . 67.1 m -71.26 150.16 45.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -121.07 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.81 148.98 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 33.3 m-70 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.8 tp -101.3 131.25 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -134.05 155.09 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 3.7 mm? -77.95 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.165 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 1.1 ptp180 153.23 125.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.914 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.92 94.85 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -71.19 125.62 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.3 -95.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.463 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -99.0 109.94 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.06 169.64 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -121.73 141.87 50.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.769 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -119.58 133.0 55.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 136.39 39.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -106.02 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 70' ' ' VAL . 22.4 mt -74.4 -8.43 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -99.51 -18.65 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.35 28.54 8.0 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.08 134.72 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' PHE . 96.7 m -99.95 123.31 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 5' ' ' LEU . 22.2 m -114.31 136.68 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.38 130.11 46.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' GLU . 54.8 mt -139.78 155.8 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 15' ' ' ILE . 1.3 pt-20 -99.52 124.02 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.6 m -140.51 165.62 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.039 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 67.1 mt-10 -123.79 144.97 46.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 -30.81 62.63 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.671 2.247 . . . . 0.0 112.184 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 p -80.42 3.83 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 83.2 m-20 -82.51 149.92 27.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' A' ' 55' ' ' THR . 11.7 p -100.14 156.07 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' ARG . 97.2 t -47.27 -44.6 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.25 -49.26 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.29 -41.6 84.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.49 -51.3 63.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HA ' HD12 ' A' ' 30' ' ' ILE . 12.2 mtpt -58.98 -37.81 77.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.67 83.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -67.35 -38.62 85.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 27' ' ' LYS . 8.3 mt -70.46 -39.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.8 tt0 -46.84 -61.06 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.21 -7.17 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -89.6 -47.26 8.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.603 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -115.73 -7.91 12.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.301 . . . . 0.0 111.318 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 72.33 61.68 3.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.609 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -140.29 118.11 8.27 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.736 0.303 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.3 Cg_exo -56.62 143.23 89.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 51.0 Cg_exo -55.27 -31.65 77.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.418 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -18.55 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.11 11.43 10.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.136 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 22.8 mt-30 -99.85 111.11 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -113.49 111.37 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HG21 ' A' ' 67' ' ' ILE . 13.0 mt -105.45 125.21 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.17 138.4 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -140.16 103.14 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.67 36.93 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.43 -13.83 49.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -88.58 104.68 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -74.56 138.2 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -90.27 126.7 35.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLY . 53.5 mt-10 -115.72 152.48 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.715 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.13 56.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.233 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -158.03 -27.33 0.03 OUTLIER Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.097 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 mpt_? -99.82 175.27 5.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.086 0.443 . . . . 0.0 110.785 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.6 p -117.6 170.05 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.93 -42.45 98.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.7 p -62.35 -24.25 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' THR . 58.7 m-20 -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 56.8 m-85 -99.35 26.01 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 5.6 p-10 46.54 44.42 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 mt -81.86 124.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -127.26 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 27.0 ttmt -59.73 148.36 34.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.5 mm-40 71.37 20.68 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -86.16 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 4' ' ' PHE . 2.6 m -117.67 131.6 56.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 43' ' ' LEU . 4.5 mp -116.37 146.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -99.79 129.88 45.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -101.86 136.91 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -132.48 154.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -84.85 -33.99 22.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER 73.51 104.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 48.66 97.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.35 68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.21 125.85 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.453 -179.968 . . . . . . . . 0 0 . 1 stop_ save_